N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

C27H30N4O2 — CID 655130

IUPACN-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1ccccc1N(CC(=O)NCCc1ccccc1)C(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C27H30N4O2/c1-21-9-5-6-12-24(21)31(20-26(32)28-16-15-22-10-3-2-4-11-22)27(33)23-13-14-25(29-19-23)30-17-7-8-18-30/h2-6,9-14,19H,7-8,15-18,20H2,1H3,(H,28,32)
InChIKeyBZGQDTCRWYZFSL-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.00
Rot. Bonds8

About N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 655130) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID655130
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1ccccc1N(CC(=O)NCCc1ccccc1)C(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C27H30N4O2/c1-21-9-5-6-12-24(21)31(20-26(32)28-16-15-22-10-3-2-4-11-22)27(33)23-13-14-25(29-19-23)30-17-7-8-18-30/h2-6,9-14,19H,7-8,15-18,20H2,1H3,(H,28,32)
InChIKeyBZGQDTCRWYZFSL-UHFFFAOYSA-N
XLogP4.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-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

Related Compounds

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Motesanib
CID 11667893
Pirenzepine Hydrochloride
CID 71405
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CID 11315474
CI 1044
CID 9843744
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
Delavuridine
CID 72346
AQ-RA 741
CID 129989
5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
Fumiquinazoline F
CID 10089772

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 655130) is N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is Cc1ccccc1N(CC(=O)NCCc1ccccc1)C(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is BZGQDTCRWYZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-21-9-5-6-12-24(21)31(20-26(32)28-16-15-22-10-3-2-4-11-22)27(33)23-13-14-25(29-19-23)30-17-7-8-18-30/h2-6,9-14,19H,7-8,15-18,20H2,1H3,(H,28,32).
What are the key properties of N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 655130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).