1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one

C111H120ClN21O10S — CID 158933728

IUPAC1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one
SMILESCCCC(=O)Cc1cc(Nc2cccc(C)c2)c(C(=O)Cc2nccs2)cn1.CCCC(=O)Cc1ncc(C(=O)Nc2ccccc2)c(Nc2ccccc2)n1.CCNC(=O)Nc1cc(NC2CCCCC2)c(C(=O)Nc2cccc(C)c2)cn1.CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(C(=O)Nc2cccc(C)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C23H25N5O2.C22H21ClN4O2.C22H29N5O2.C22H22N4O2.C22H23N3O2S/c1-4-24-23(30)28-21-13-20(26-17-9-5-7-15(2)11-17)19(14-25-21)22(29)27-18-10-6-8-16(3)12-18;1-2-24-22(29)27-21-13-19(26-17-9-4-3-5-10-17)18(14-25-21)20(28)12-15-7-6-8-16(23)11-15;1-3-23-22(29)27-20-13-19(25-16-9-5-4-6-10-16)18(14-24-20)21(28)26-17-11-7-8-15(2)12-17;1-2-9-18(27)14-20-23-15-19(22(28)25-17-12-7-4-8-13-17)21(26-20)24-16-10-5-3-6-11-16;1-3-5-18(26)11-17-12-20(25-16-7-4-6-15(2)10-16)19(14-24-17)21(27)13-22-23-8-9-28-22/h5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30);3-11,13-14H,2,12H2,1H3,(H3,24,25,26,27,29);7-8,11-14,16H,3-6,9-10H2,1-2H3,(H,26,28)(H3,23,24,25,27,29);3-8,10-13,15H,2,9,14H2,1H3,(H,25,28)(H,23,24,26);4,6-10,12,14H,3,5,11,13H2,1-2H3,(H,24,25)
InChIKeyJJJSOVFUABZSEA-UHFFFAOYSA-N
MW1975.84 g/mol
LogP23.72
Rot. Bonds36

About 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one

1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one (PubChem CID 158933728) has the molecular formula C111H120ClN21O10S and a molecular weight of 1975.84 g/mol. Its IUPAC name is 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one.

Molecular Properties

Compound Name1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one
PubChem CID158933728
Molecular FormulaC111H120ClN21O10S
Molecular Weight1975.84 g/mol
Exact Mass1973.89
IUPAC Name1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one
SMILESCCCC(=O)Cc1cc(Nc2cccc(C)c2)c(C(=O)Cc2nccs2)cn1.CCCC(=O)Cc1ncc(C(=O)Nc2ccccc2)c(Nc2ccccc2)n1.CCNC(=O)Nc1cc(NC2CCCCC2)c(C(=O)Nc2cccc(C)c2)cn1.CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(C(=O)Nc2cccc(C)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C23H25N5O2.C22H21ClN4O2.C22H29N5O2.C22H22N4O2.C22H23N3O2S/c1-4-24-23(30)28-21-13-20(26-17-9-5-7-15(2)11-17)19(14-25-21)22(29)27-18-10-6-8-16(3)12-18;1-2-24-22(29)27-21-13-19(26-17-9-4-3-5-10-17)18(14-25-21)20(28)12-15-7-6-8-16(23)11-15;1-3-23-22(29)27-20-13-19(25-16-9-5-4-6-10-16)18(14-24-20)21(28)26-17-11-7-8-15(2)12-17;1-2-9-18(27)14-20-23-15-19(22(28)25-17-12-7-4-8-13-17)21(26-20)24-16-10-5-3-6-11-16;1-3-5-18(26)11-17-12-20(25-16-7-4-6-15(2)10-16)19(14-24-17)21(27)13-22-23-8-9-28-22/h5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30);3-11,13-14H,2,12H2,1H3,(H3,24,25,26,27,29);7-8,11-14,16H,3-6,9-10H2,1-2H3,(H,26,28)(H3,23,24,25,27,29);3-8,10-13,15H,2,9,14H2,1H3,(H,25,28)(H,23,24,26);4,6-10,12,14H,3,5,11,13H2,1-2H3,(H,24,25)
InChIKeyJJJSOVFUABZSEA-UHFFFAOYSA-N
XLogP23.72
TPSA429.35 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001975.84
LogP ≤ 523.72
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Analyze 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one with MolForge

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Related Compounds

4-(3-chloroanilino)-6-(ethylcarbamoylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 71622215
4-anilino-6-(ethylcarbamoylamino)-N-(4-methylphenyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 158104035
4-anilino-N-(3,5-difluorophenyl)-6-(ethylcarbamoylamino)pyridine-3-carboxamide
CID 71621638
3-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 129094682
(2R)-1-[4-[[4-anilino-6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]phenyl]-2-tert-butylpyrrolidine-2-carboxylic acid
CID 129094720
1-ethyl-3-[8-(3-methylanilino)isoquinolin-3-yl]urea
CID 141308387
5-(cyclohexylamino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109274899
ethyl 3-[4-[[4-(2,4-difluoroanilino)-6-(2-oxopentyl)pyridine-3-carbonyl]amino]phenyl]propanoate
CID 159352378
2-[3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]phenyl]acetic acid
CID 67448484
4-anilino-6-(ethylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 71621935
2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 90394099
4-anilino-6-(ethylcarbamoylamino)-N-(1-methyl-2-oxo-4-pyridinyl)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)pyridine-3-carboxylic acid;4-bromo-1-methylpyridin-2-one
CID 157325414

Frequently Asked Questions

What is the IUPAC name of 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one?
The IUPAC name of 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one (CID 158933728) is 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one.
What is the SMILES notation for 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one?
The canonical SMILES for 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one is CCCC(=O)Cc1cc(Nc2cccc(C)c2)c(C(=O)Cc2nccs2)cn1.CCCC(=O)Cc1ncc(C(=O)Nc2ccccc2)c(Nc2ccccc2)n1.CCNC(=O)Nc1cc(NC2CCCCC2)c(C(=O)Nc2cccc(C)c2)cn1.CCNC(=O)Nc1cc(Nc2cccc(C)c2)c(C(=O)Nc2cccc(C)c2)cn1.CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Cc2cccc(Cl)c2)cn1.
What is the InChIKey of 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one?
The InChIKey is JJJSOVFUABZSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2.C22H21ClN4O2.C22H29N5O2.C22H22N4O2.C22H23N3O2S/c1-4-24-23(30)28-21-13-20(26-17-9-5-7-15(2)11-17)19(14-25-21)22(29)27-18-10-6-8-16(3)12-18;1-2-24-22(29)27-21-13-19(26-17-9-4-3-5-10-17)18(14-25-21)20(28)12-15-7-6-8-16(23)11-15;1-3-23-22(29)27-20-13-19(25-16-9-5-4-6-10-16)18(14-24-20)21(28)26-17-11-7-8-15(2)12-17;1-2-9-18(27)14-20-23-15-19(22(28)25-17-12-7-4-8-13-17)21(26-20)24-16-10-5-3-6-11-16;1-3-5-18(26)11-17-12-20(25-16-7-4-6-15(2)10-16)19(14-24-17)21(27)13-22-23-8-9-28-22/h5-14H,4H2,1-3H3,(H,27,29)(H3,24,25,26,28,30);3-11,13-14H,2,12H2,1H3,(H3,24,25,26,27,29);7-8,11-14,16H,3-6,9-10H2,1-2H3,(H,26,28)(H3,23,24,25,27,29);3-8,10-13,15H,2,9,14H2,1H3,(H,25,28)(H,23,24,26);4,6-10,12,14H,3,5,11,13H2,1-2H3,(H,24,25).
What are the key properties of 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one?
1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one has a molecular weight of 1975.84 g/mol, XLogP of 23.72, 36 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-anilino-5-[2-(3-chlorophenyl)acetyl]-2-pyridinyl]-3-ethylurea;4-anilino-2-(2-oxopentyl)-N-phenylpyrimidine-5-carboxamide;4-(cyclohexylamino)-6-(ethylcarbamoylamino)-N-(3-methylphenyl)pyridine-3-carboxamide;6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide;1-[4-(3-methylanilino)-5-[2-(1,3-thiazol-2-yl)acetyl]-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 158933728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).