(2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide

C19H17ClN4O2 — CID 67497525

IUPAC(2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
SMILESN[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C19H17ClN4O2/c20-15-3-1-2-12(8-15)9-16(21)18(25)24-17-10-14(11-23-19(17)26)13-4-6-22-7-5-13/h1-8,10-11,16H,9,21H2,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeyOURHIGHEBYNLMC-INIZCTEOSA-N
MW368.82 g/mol
LogP2.60
Rot. Bonds5

About (2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide

(2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide (PubChem CID 67497525) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
PubChem CID67497525
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name(2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
SMILESN[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C19H17ClN4O2/c20-15-3-1-2-12(8-15)9-16(21)18(25)24-17-10-14(11-23-19(17)26)13-4-6-22-7-5-13/h1-8,10-11,16H,9,21H2,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeyOURHIGHEBYNLMC-INIZCTEOSA-N
XLogP2.60
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide
CID 23339831
1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
CID 110874471
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73352401
2-(4-chlorophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid
CID 117074114
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
CID 71453406
(2S)-2-amino-N-(3-chlorophenyl)-3-(1H-imidazol-5-yl)propanamide
CID 110837682
2-amino-N-(2-bromo-5-chlorophenyl)-3-phenylpropanamide
CID 81270389
3-hydroxy-5-pyridin-4-yl-1H-pyridin-2-one
CID 20517045
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide
CID 117074219
(2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide;2-(3-chlorophenyl)ethanamine
CID 70275764
N-[5-(1-benzylpyridin-1-ium-4-yl)-2-oxo-1H-pyridin-3-yl]acetamide
CID 110194367
(2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide
CID 117074618

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide (CID 67497525) is (2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide is N[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O.
What is the InChIKey of (2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide?
The InChIKey is OURHIGHEBYNLMC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-15-3-1-2-12(8-15)9-16(21)18(25)24-17-10-14(11-23-19(17)26)13-4-6-22-7-5-13/h1-8,10-11,16H,9,21H2,(H,23,26)(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide?
(2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide has a molecular weight of 368.82 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-chlorophenyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 67497525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).