(2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide

C18H23N5O3 — CID 159175354

IUPAC(2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
SMILESN#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CC1)n1cccc(N)c1=O
InChIInChI=1S/C18H23N5O3/c19-10-13(9-12-5-6-21-16(12)24)22-17(25)15(8-11-3-4-11)23-7-1-2-14(20)18(23)26/h1-2,7,11-13,15H,3-6,8-9,20H2,(H,21,24)(H,22,25)/t12-,13-,15-/m0/s1
InChIKeyKMEYURAGXCYDNY-YDHLFZDLSA-N
MW357.41 g/mol
LogP0.31
Rot. Bonds7

About (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide

(2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide (PubChem CID 159175354) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
PubChem CID159175354
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
SMILESN#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CC1)n1cccc(N)c1=O
InChIInChI=1S/C18H23N5O3/c19-10-13(9-12-5-6-21-16(12)24)22-17(25)15(8-11-3-4-11)23-7-1-2-14(20)18(23)26/h1-2,7,11-13,15H,3-6,8-9,20H2,(H,21,24)(H,22,25)/t12-,13-,15-/m0/s1
InChIKeyKMEYURAGXCYDNY-YDHLFZDLSA-N
XLogP0.31
TPSA130.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropyl-2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propanamide
CID 160115813
(2S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropyl-2-[4-methyl-2-oxo-3-(2,2,2-trifluoroethylamino)pyridin-1-yl]propanamide
CID 160976956
(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropyl-2-[4-methyl-2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propanamide
CID 162396254
(2S)-N-[(1S)-1-cyano-2-[(3R)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropyl-2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propanamide
CID 166611555
(2S)-2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
CID 162102030
(2R)-2-(3-amino-4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
CID 162396253
(2R)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide
CID 162396258
tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate
CID 162478760
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-3-cyclopropyl-2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propanamide
CID 160115814
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-3-cyclopropyl-2-[4-methyl-2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propanamide
CID 160976957
N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropyl-2-[4-methyl-2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propanamide
CID 162478717
N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropyl-2-[2-oxo-3-(2,2,2-trifluoroethylamino)-1-pyridinyl]propanamide
CID 162479520

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide?
The IUPAC name of (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide (CID 159175354) is (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide is N#C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CC1)n1cccc(N)c1=O.
What is the InChIKey of (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide?
The InChIKey is KMEYURAGXCYDNY-YDHLFZDLSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-10-13(9-12-5-6-21-16(12)24)22-17(25)15(8-11-3-4-11)23-7-1-2-14(20)18(23)26/h1-2,7,11-13,15H,3-6,8-9,20H2,(H,21,24)(H,22,25)/t12-,13-,15-/m0/s1.
What are the key properties of (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide?
(2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide has a molecular weight of 357.41 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-amino-2-oxo-1-pyridinyl)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-3-cyclopropylpropanamide is sourced from PubChem (CID 159175354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).