3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate

C97H103ClN26O11 — CID 173100727

IUPAC3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nc(-c3cccc(C(=O)NC4CCOc5ccccc54)c3)cnc2N)C1.Nc1ncc(-c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)nc1C(=O)N[C@H]1CCNC1.Nc1ncc(-c2cccc(C(=O)NCc3ccccn3)c2)nc1C(=O)N[C@H]1CCNC1.Nc1ncc(-c2cccc(C(=O)NCc3cccnc3)c2)nc1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C30H34N6O5.C23H23ClN6O2.2C22H23N7O2/c1-30(2,3)41-29(39)36-13-11-20(17-36)33-28(38)25-26(31)32-16-23(34-25)18-7-6-8-19(15-18)27(37)35-22-12-14-40-24-10-5-4-9-21(22)24;24-17-6-4-14(5-7-17)11-28-22(31)16-3-1-2-15(10-16)19-13-27-21(25)20(30-19)23(32)29-18-8-9-26-12-18;23-20-19(22(31)28-17-6-8-25-12-17)29-18(13-26-20)15-4-1-5-16(9-15)21(30)27-11-14-3-2-7-24-10-14;23-20-19(22(31)28-17-7-9-24-11-17)29-18(13-26-20)14-4-3-5-15(10-14)21(30)27-12-16-6-1-2-8-25-16/h4-10,15-16,20,22H,11-14,17H2,1-3H3,(H2,31,32)(H,33,38)(H,35,37);1-7,10,13,18,26H,8-9,11-12H2,(H2,25,27)(H,28,31)(H,29,32);1-5,7,9-10,13,17,25H,6,8,11-12H2,(H2,23,26)(H,27,30)(H,28,31);1-6,8,10,13,17,24H,7,9,11-12H2,(H2,23,26)(H,27,30)(H,28,31)/t20-,22?;18-;2*17-/m0000/s1
InChIKeyMYNSWHFAVYWMRR-ZOQIJIHFSA-N
MW1844.51 g/mol
LogP8.40
Rot. Bonds23

About 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate

3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate (PubChem CID 173100727) has the molecular formula C97H103ClN26O11 and a molecular weight of 1844.51 g/mol. Its IUPAC name is 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate
PubChem CID173100727
Molecular FormulaC97H103ClN26O11
Molecular Weight1844.51 g/mol
Exact Mass1842.80
IUPAC Name3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nc(-c3cccc(C(=O)NC4CCOc5ccccc54)c3)cnc2N)C1.Nc1ncc(-c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)nc1C(=O)N[C@H]1CCNC1.Nc1ncc(-c2cccc(C(=O)NCc3ccccn3)c2)nc1C(=O)N[C@H]1CCNC1.Nc1ncc(-c2cccc(C(=O)NCc3cccnc3)c2)nc1C(=O)N[C@H]1CCNC1
InChIInChI=1S/C30H34N6O5.C23H23ClN6O2.2C22H23N7O2/c1-30(2,3)41-29(39)36-13-11-20(17-36)33-28(38)25-26(31)32-16-23(34-25)18-7-6-8-19(15-18)27(37)35-22-12-14-40-24-10-5-4-9-21(22)24;24-17-6-4-14(5-7-17)11-28-22(31)16-3-1-2-15(10-16)19-13-27-21(25)20(30-19)23(32)29-18-8-9-26-12-18;23-20-19(22(31)28-17-6-8-25-12-17)29-18(13-26-20)15-4-1-5-16(9-15)21(30)27-11-14-3-2-7-24-10-14;23-20-19(22(31)28-17-7-9-24-11-17)29-18(13-26-20)14-4-3-5-15(10-14)21(30)27-12-16-6-1-2-8-25-16/h4-10,15-16,20,22H,11-14,17H2,1-3H3,(H2,31,32)(H,33,38)(H,35,37);1-7,10,13,18,26H,8-9,11-12H2,(H2,25,27)(H,28,31)(H,29,32);1-5,7,9-10,13,17,25H,6,8,11-12H2,(H2,23,26)(H,27,30)(H,28,31);1-6,8,10,13,17,24H,7,9,11-12H2,(H2,23,26)(H,27,30)(H,28,31)/t20-,22?;18-;2*17-/m0000/s1
InChIKeyMYNSWHFAVYWMRR-ZOQIJIHFSA-N
XLogP8.40
TPSA540.64 Ų
H-Bond Donors15
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001844.51
LogP ≤ 58.40
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1028

Analyze 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650950
(3S)-3-[[3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid
CID 68803768
tert-butyl 3-[[3-amino-6-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 68650338
tert-butyl 4-[[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 68651679
3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68652015
3-amino-6-[3-(benzylcarbamoyl)phenyl]-N-[(3S)-1-ethylpyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650566
3-amino-6-[3-[(3,5-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651270
tert-butyl (3S)-3-[[3-amino-6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate
CID 68651698
(3S)-3-[[3-amino-6-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazine-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 68651451
3-amino-6-[3-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 71111745
3-amino-6-[3-[(6-chloro-2-fluoro-3-methylphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650312
tert-butyl (3S)-3-[[3-amino-6-[3-[[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 71102819

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate (CID 173100727) is 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nc(-c3cccc(C(=O)NC4CCOc5ccccc54)c3)cnc2N)C1.Nc1ncc(-c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)nc1C(=O)N[C@H]1CCNC1.Nc1ncc(-c2cccc(C(=O)NCc3ccccn3)c2)nc1C(=O)N[C@H]1CCNC1.Nc1ncc(-c2cccc(C(=O)NCc3cccnc3)c2)nc1C(=O)N[C@H]1CCNC1.
What is the InChIKey of 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is MYNSWHFAVYWMRR-ZOQIJIHFSA-N. The full InChI is InChI=1S/C30H34N6O5.C23H23ClN6O2.2C22H23N7O2/c1-30(2,3)41-29(39)36-13-11-20(17-36)33-28(38)25-26(31)32-16-23(34-25)18-7-6-8-19(15-18)27(37)35-22-12-14-40-24-10-5-4-9-21(22)24;24-17-6-4-14(5-7-17)11-28-22(31)16-3-1-2-15(10-16)19-13-27-21(25)20(30-19)23(32)29-18-8-9-26-12-18;23-20-19(22(31)28-17-6-8-25-12-17)29-18(13-26-20)15-4-1-5-16(9-15)21(30)27-11-14-3-2-7-24-10-14;23-20-19(22(31)28-17-7-9-24-11-17)29-18(13-26-20)14-4-3-5-15(10-14)21(30)27-12-16-6-1-2-8-25-16/h4-10,15-16,20,22H,11-14,17H2,1-3H3,(H2,31,32)(H,33,38)(H,35,37);1-7,10,13,18,26H,8-9,11-12H2,(H2,25,27)(H,28,31)(H,29,32);1-5,7,9-10,13,17,25H,6,8,11-12H2,(H2,23,26)(H,27,30)(H,28,31);1-6,8,10,13,17,24H,7,9,11-12H2,(H2,23,26)(H,27,30)(H,28,31)/t20-,22?;18-;2*17-/m0000/s1.
What are the key properties of 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate?
3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 1844.51 g/mol, XLogP of 8.40, 23 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;3-amino-6-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide;tert-butyl (3S)-3-[[3-amino-6-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 173100727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).