N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide

C25H31N3O3 — CID 110246780

IUPACN-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(C2CCCN2C(=O)Cn2cccc(C(=O)NC3CCCC3)c2=O)c1
InChIInChI=1S/C25H31N3O3/c1-17-11-12-18(2)21(15-17)22-10-6-14-28(22)23(29)16-27-13-5-9-20(25(27)31)24(30)26-19-7-3-4-8-19/h5,9,11-13,15,19,22H,3-4,6-8,10,14,16H2,1-2H3,(H,26,30)
InChIKeyGLUQGJGPIFUGHI-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.50
Rot. Bonds5

About N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide

N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide (PubChem CID 110246780) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
PubChem CID110246780
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(C2CCCN2C(=O)Cn2cccc(C(=O)NC3CCCC3)c2=O)c1
InChIInChI=1S/C25H31N3O3/c1-17-11-12-18(2)21(15-17)22-10-6-14-28(22)23(29)16-27-13-5-9-20(25(27)31)24(30)26-19-7-3-4-8-19/h5,9,11-13,15,19,22H,3-4,6-8,10,14,16H2,1-2H3,(H,26,30)
InChIKeyGLUQGJGPIFUGHI-UHFFFAOYSA-N
XLogP3.50
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[2-[(2S)-2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635426
N-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110246846
N-benzyl-1-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635526
N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 92635216
1-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625368
2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
CID 112707991
5-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-3,3-difluoro-5-oxopentanoic acid
CID 166288514
N-cyclopentyl-1-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92632183
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-cyclohexyl-1-[2-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635339
2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110246981

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide (CID 110246780) is N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide is Cc1ccc(C)c(C2CCCN2C(=O)Cn2cccc(C(=O)NC3CCCC3)c2=O)c1.
What is the InChIKey of N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is GLUQGJGPIFUGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17-11-12-18(2)21(15-17)22-10-6-14-28(22)23(29)16-27-13-5-9-20(25(27)31)24(30)26-19-7-3-4-8-19/h5,9,11-13,15,19,22H,3-4,6-8,10,14,16H2,1-2H3,(H,26,30).
What are the key properties of N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110246780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).