(4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide

C17H17N5O2 — CID 70966240

IUPAC(4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cc(-n2ccccc2=O)ccc1NC(=O)C1C[C@H](N)CN1
InChIInChI=1S/C17H17N5O2/c18-9-11-7-13(22-6-2-1-3-16(22)23)4-5-14(11)21-17(24)15-8-12(19)10-20-15/h1-7,12,15,20H,8,10,19H2,(H,21,24)/t12-,15?/m0/s1
InChIKeyZAEWHYDYBXJJDN-SFVWDYPZSA-N
MW323.36 g/mol
LogP0.34
Rot. Bonds3

About (4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide

(4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 70966240) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is (4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID70966240
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name(4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cc(-n2ccccc2=O)ccc1NC(=O)C1C[C@H](N)CN1
InChIInChI=1S/C17H17N5O2/c18-9-11-7-13(22-6-2-1-3-16(22)23)4-5-14(11)21-17(24)15-8-12(19)10-20-15/h1-7,12,15,20H,8,10,19H2,(H,21,24)/t12-,15?/m0/s1
InChIKeyZAEWHYDYBXJJDN-SFVWDYPZSA-N
XLogP0.34
TPSA112.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
CID 73306063
tert-butyl (4S)-4-amino-2-[[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 70966238
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
(1S,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1-carboxamide
CID 68686790
trans-(1S,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-1-methylcyclopropane-1-carboxylic acid
CID 66882265
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
2-[(2S,4R)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
CID 68647235
N-(2-cyanophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690506
2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 141145339
trans-(1R,2S)-2-N-(5-chloro-2-pyridinyl)-1-cyano-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 11698135
(2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 82015903
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 69064791

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide (CID 70966240) is (4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide is N#Cc1cc(-n2ccccc2=O)ccc1NC(=O)C1C[C@H](N)CN1.
What is the InChIKey of (4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ZAEWHYDYBXJJDN-SFVWDYPZSA-N. The full InChI is InChI=1S/C17H17N5O2/c18-9-11-7-13(22-6-2-1-3-16(22)23)4-5-14(11)21-17(24)15-8-12(19)10-20-15/h1-7,12,15,20H,8,10,19H2,(H,21,24)/t12-,15?/m0/s1.
What are the key properties of (4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide?
(4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70966240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).