N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide

C16H20N4O3 — CID 167075779

IUPACN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(C(=O)N(C)CC(=O)N2CC(C)CC2C#N)nc1
InChIInChI=1S/C16H20N4O3/c1-11-6-12(7-17)20(9-11)15(21)10-19(2)16(22)14-5-4-13(23-3)8-18-14/h4-5,8,11-12H,6,9-10H2,1-3H3
InChIKeyIPKRUWZKQRCRLE-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.92
Rot. Bonds4

About N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide

N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 167075779) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide
PubChem CID167075779
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(C(=O)N(C)CC(=O)N2CC(C)CC2C#N)nc1
InChIInChI=1S/C16H20N4O3/c1-11-6-12(7-17)20(9-11)15(21)10-19(2)16(22)14-5-4-13(23-3)8-18-14/h4-5,8,11-12H,6,9-10H2,1-3H3
InChIKeyIPKRUWZKQRCRLE-UHFFFAOYSA-N
XLogP0.92
TPSA86.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-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-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide (CID 167075779) is N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide is COc1ccc(C(=O)N(C)CC(=O)N2CC(C)CC2C#N)nc1.
What is the InChIKey of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is IPKRUWZKQRCRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-6-12(7-17)20(9-11)15(21)10-19(2)16(22)14-5-4-13(23-3)8-18-14/h4-5,8,11-12H,6,9-10H2,1-3H3.
What are the key properties of N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide?
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-5-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167075779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).