6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide

C17H25N3O2 — CID 130375911

IUPAC6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C17H25N3O2/c1-10(2)20-8-11(3)15(9-20)19-17(22)13-6-7-14(12-4-5-12)18-16(13)21/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22)/t11-,15+/m0/s1
InChIKeyMSUIYVJRPBVSEP-XHDPSFHLSA-N
MW303.41 g/mol
LogP1.71
Rot. Bonds4

About 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide

6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 130375911) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID130375911
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C17H25N3O2/c1-10(2)20-8-11(3)15(9-20)19-17(22)13-6-7-14(12-4-5-12)18-16(13)21/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22)/t11-,15+/m0/s1
InChIKeyMSUIYVJRPBVSEP-XHDPSFHLSA-N
XLogP1.71
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-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 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 130375911) is 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide is CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(C3CC3)[nH]c2=O)C1.
What is the InChIKey of 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MSUIYVJRPBVSEP-XHDPSFHLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-10(2)20-8-11(3)15(9-20)19-17(22)13-6-7-14(12-4-5-12)18-16(13)21/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,18,21)(H,19,22)/t11-,15+/m0/s1.
What are the key properties of 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide?
6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 130375911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).