N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide

C19H26N4O3 — CID 133113683

IUPACN-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1C1CC1)c1ccc[nH]c1=O
InChIInChI=1S/C19H26N4O3/c24-17-4-2-8-23(17)10-9-22-11-15(13-5-6-13)16(12-22)21-19(26)14-3-1-7-20-18(14)25/h1,3,7,13,15-16H,2,4-6,8-12H2,(H,20,25)(H,21,26)/t15-,16+/m0/s1
InChIKeyNMZGRSXMEIHDHL-JKSUJKDBSA-N
MW358.44 g/mol
LogP0.44
Rot. Bonds6

About N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 133113683) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID133113683
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1C1CC1)c1ccc[nH]c1=O
InChIInChI=1S/C19H26N4O3/c24-17-4-2-8-23(17)10-9-22-11-15(13-5-6-13)16(12-22)21-19(26)14-3-1-7-20-18(14)25/h1,3,7,13,15-16H,2,4-6,8-12H2,(H,20,25)(H,21,26)/t15-,16+/m0/s1
InChIKeyNMZGRSXMEIHDHL-JKSUJKDBSA-N
XLogP0.44
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 133113683) is N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide is O=C(N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1C1CC1)c1ccc[nH]c1=O.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NMZGRSXMEIHDHL-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-17-4-2-8-23(17)10-9-22-11-15(13-5-6-13)16(12-22)21-19(26)14-3-1-7-20-18(14)25/h1,3,7,13,15-16H,2,4-6,8-12H2,(H,20,25)(H,21,26)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 133113683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).