(2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide

C120H129FN30O13 — CID 159017848

IUPAC(2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide
SMILESC=CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)c(Nc2cc(N(C)C(=O)NCc3ccccc3)ncn2)c1.C=CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)c(Nc2cc(N(C)C(=O)NCc3ccccc3)ncn2)c1.C=CC(=O)Nc1cccc(N(C(=O)Nc2ccc(F)c(C)c2)c2cc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncn2)c1.C=CC(=O)Nc1cccc(N(C(=O)Nc2ccccc2)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c1
InChIInChI=1S/C33H35FN8O3.C31H32N8O2.2C28H31N7O4/c1-5-32(43)37-23-7-6-8-26(18-23)42(33(44)38-24-9-11-27(34)22(2)17-24)31-20-30(35-21-36-31)39-28-12-10-25(19-29(28)45-4)41-15-13-40(3)14-16-41;1-3-30(40)35-25-10-7-11-27(20-25)39(31(41)36-23-8-5-4-6-9-23)29-21-28(32-22-33-29)34-24-12-14-26(15-13-24)38-18-16-37(2)17-19-38;2*1-4-26(36)35-14-8-11-22(35)27(37)32-20-12-13-23(39-3)21(15-20)33-24-16-25(31-18-30-24)34(2)28(38)29-17-19-9-6-5-7-10-19/h5-12,17-21H,1,13-16H2,2-4H3,(H,37,43)(H,38,44)(H,35,36,39);3-15,20-22H,1,16-19H2,2H3,(H,35,40)(H,36,41)(H,32,33,34);2*4-7,9-10,12-13,15-16,18,22H,1,8,11,14,17H2,2-3H3,(H,29,38)(H,32,37)(H,30,31,33)/t;;2*22-/m..10/s1
InChIKeyJTHVRNXTCLFFQU-RJHYWXQISA-N
MW2218.55 g/mol
LogP18.77
Rot. Bonds35

About (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide

(2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide (PubChem CID 159017848) has the molecular formula C120H129FN30O13 and a molecular weight of 2218.55 g/mol. Its IUPAC name is (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide
PubChem CID159017848
Molecular FormulaC120H129FN30O13
Molecular Weight2218.55 g/mol
Exact Mass2217.03
IUPAC Name(2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide
SMILESC=CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)c(Nc2cc(N(C)C(=O)NCc3ccccc3)ncn2)c1.C=CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)c(Nc2cc(N(C)C(=O)NCc3ccccc3)ncn2)c1.C=CC(=O)Nc1cccc(N(C(=O)Nc2ccc(F)c(C)c2)c2cc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncn2)c1.C=CC(=O)Nc1cccc(N(C(=O)Nc2ccccc2)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c1
InChIInChI=1S/C33H35FN8O3.C31H32N8O2.2C28H31N7O4/c1-5-32(43)37-23-7-6-8-26(18-23)42(33(44)38-24-9-11-27(34)22(2)17-24)31-20-30(35-21-36-31)39-28-12-10-25(19-29(28)45-4)41-15-13-40(3)14-16-41;1-3-30(40)35-25-10-7-11-27(20-25)39(31(41)36-23-8-5-4-6-9-23)29-21-28(32-22-33-29)34-24-12-14-26(15-13-24)38-18-16-37(2)17-19-38;2*1-4-26(36)35-14-8-11-22(35)27(37)32-20-12-13-23(39-3)21(15-20)33-24-16-25(31-18-30-24)34(2)28(38)29-17-19-9-6-5-7-10-19/h5-12,17-21H,1,13-16H2,2-4H3,(H,37,43)(H,38,44)(H,35,36,39);3-15,20-22H,1,16-19H2,2H3,(H,35,40)(H,36,41)(H,32,33,34);2*4-7,9-10,12-13,15-16,18,22H,1,8,11,14,17H2,2-3H3,(H,29,38)(H,32,37)(H,30,31,33)/t;;2*22-/m..10/s1
InChIKeyJTHVRNXTCLFFQU-RJHYWXQISA-N
XLogP18.77
TPSA478.27 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002218.55
LogP ≤ 518.77
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

N-[3-[cyclopropylmethylcarbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 121426094
N-[3-[[[6-[4-[4-[2-[4-[3-methoxy-4-[[6-[[3-(prop-2-enoylamino)phenyl]methylamino]pyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]anilino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 123303315
N-[4-[benzylcarbamoyl(methyl)amino]-7-methoxyquinazolin-6-yl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 121408943
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dichlorophenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(3,5-dimethoxyphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;3-(2,6-dimethylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea;ethane;1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-3-phenylurea
CID 165023371
N-[3-[3-benzyl-7-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-4-fluorophenyl]prop-2-enamide
CID 71478951
3-(2,6-diethylphenyl)-1-(2,4-dimethoxyphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 118899272
3-(2-chloro-5-methoxy-3-methylphenyl)-1-methyl-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 166717532
N-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]-4-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide
CID 118029214
[(1S)-1-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-4-[3-(prop-2-enoylamino)anilino]pyrimidin-5-yl]propyl] formate
CID 145356547
N-[3-[7-benzyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-8-oxo-5,6-dihydropyrimido[4,5-d][1,3]diazepin-9-yl]phenyl]prop-2-enamide
CID 165398718
ethane;1-methyl-3-phenyl-1-[6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
CID 164983888
N-[2-[[6-[(2,6-dichloro-3-methoxy-5-methylphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]-5-piperazin-1-ylphenyl]prop-2-enamide
CID 163582320

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide?
The IUPAC name of (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide (CID 159017848) is (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide?
The canonical SMILES for (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide is C=CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)c(Nc2cc(N(C)C(=O)NCc3ccccc3)ncn2)c1.C=CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)c(Nc2cc(N(C)C(=O)NCc3ccccc3)ncn2)c1.C=CC(=O)Nc1cccc(N(C(=O)Nc2ccc(F)c(C)c2)c2cc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncn2)c1.C=CC(=O)Nc1cccc(N(C(=O)Nc2ccccc2)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c1.
What is the InChIKey of (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide?
The InChIKey is JTHVRNXTCLFFQU-RJHYWXQISA-N. The full InChI is InChI=1S/C33H35FN8O3.C31H32N8O2.2C28H31N7O4/c1-5-32(43)37-23-7-6-8-26(18-23)42(33(44)38-24-9-11-27(34)22(2)17-24)31-20-30(35-21-36-31)39-28-12-10-25(19-29(28)45-4)41-15-13-40(3)14-16-41;1-3-30(40)35-25-10-7-11-27(20-25)39(31(41)36-23-8-5-4-6-9-23)29-21-28(32-22-33-29)34-24-12-14-26(15-13-24)38-18-16-37(2)17-19-38;2*1-4-26(36)35-14-8-11-22(35)27(37)32-20-12-13-23(39-3)21(15-20)33-24-16-25(31-18-30-24)34(2)28(38)29-17-19-9-6-5-7-10-19/h5-12,17-21H,1,13-16H2,2-4H3,(H,37,43)(H,38,44)(H,35,36,39);3-15,20-22H,1,16-19H2,2H3,(H,35,40)(H,36,41)(H,32,33,34);2*4-7,9-10,12-13,15-16,18,22H,1,8,11,14,17H2,2-3H3,(H,29,38)(H,32,37)(H,30,31,33)/t;;2*22-/m..10/s1.
What are the key properties of (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide?
(2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide has a molecular weight of 2218.55 g/mol, XLogP of 18.77, 35 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;(2R)-N-[3-[[6-[benzylcarbamoyl(methyl)amino]pyrimidin-4-yl]amino]-4-methoxyphenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-[(4-fluoro-3-methylphenyl)carbamoyl-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-(phenylcarbamoyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 159017848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).