N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide

C19H16ClN3O2S — CID 54760592

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccc(Cl)s2)nc1
InChIInChI=1S/C19H16ClN3O2S/c20-17-9-8-16(26-17)14-7-6-13(11-22-14)19(25)23-15(18(21)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,21,24)(H,23,25)/t15-/m0/s1
InChIKeyPUQCZOGBUKRXKB-HNNXBMFYSA-N
MW385.88 g/mol
LogP3.29
Rot. Bonds6

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide (PubChem CID 54760592) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide
PubChem CID54760592
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccc(Cl)s2)nc1
InChIInChI=1S/C19H16ClN3O2S/c20-17-9-8-16(26-17)14-7-6-13(11-22-14)19(25)23-15(18(21)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,21,24)(H,23,25)/t15-/m0/s1
InChIKeyPUQCZOGBUKRXKB-HNNXBMFYSA-N
XLogP3.29
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(5-chlorothiophen-2-yl)-3-pyridinyl]-2-oxoacetamide
CID 144811588
(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 41250495
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 146128298
[(2S)-5-amino-2-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoyl] 6-(5-chlorothiophen-2-yl)pyridine-3-carboxylate
CID 87361185
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
CID 49083866
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 48731808
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-phenyl-1H-imidazole-5-carboxamide
CID 25148045
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-chlorobenzamide
CID 10278297
N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 71442039
4-amino-2-[(6-chloropyridine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43240154

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide (CID 54760592) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide is NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccc(Cl)s2)nc1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide?
The InChIKey is PUQCZOGBUKRXKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-17-9-8-16(26-17)14-7-6-13(11-22-14)19(25)23-15(18(21)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,21,24)(H,23,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide has a molecular weight of 385.88 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-6-(5-chlorothiophen-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 54760592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).