N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide

C25H31N3O3 — CID 92635216

IUPACN-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc([C@H]2CCCN2C(=O)c2cccn(CC(=O)NC3CCCC3)c2=O)cc1C
InChIInChI=1S/C25H31N3O3/c1-17-11-12-19(15-18(17)2)22-10-6-14-28(22)25(31)21-9-5-13-27(24(21)30)16-23(29)26-20-7-3-4-8-20/h5,9,11-13,15,20,22H,3-4,6-8,10,14,16H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyBXEZYZGXNRIIDP-JOCHJYFZSA-N
MW421.54 g/mol
LogP3.50
Rot. Bonds5

About N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide

N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 92635216) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
PubChem CID92635216
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc([C@H]2CCCN2C(=O)c2cccn(CC(=O)NC3CCCC3)c2=O)cc1C
InChIInChI=1S/C25H31N3O3/c1-17-11-12-19(15-18(17)2)22-10-6-14-28(22)25(31)21-9-5-13-27(24(21)30)16-23(29)26-20-7-3-4-8-20/h5,9,11-13,15,20,22H,3-4,6-8,10,14,16H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyBXEZYZGXNRIIDP-JOCHJYFZSA-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-cyclohexyl-2-[3-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110246846
2-[3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 110246831
N-benzyl-1-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635526
N-cyclopentyl-1-[2-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 110246780
3-amino-1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124509659
7-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 52535540
1-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94824254
1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 92635828
methyl N-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 95274537
[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 97006193
2-[3-[2-acetyl-6-(2-methylpropyl)-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-9-carbonyl]-2-oxo-1-pyridinyl]-N-cyclohexylacetamide
CID 133071909
N-benzyl-1-[2-[(2S)-2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxamide
CID 92635426

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide (CID 92635216) is N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide is Cc1ccc([C@H]2CCCN2C(=O)c2cccn(CC(=O)NC3CCCC3)c2=O)cc1C.
What is the InChIKey of N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is BXEZYZGXNRIIDP-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17-11-12-19(15-18(17)2)22-10-6-14-28(22)25(31)21-9-5-13-27(24(21)30)16-23(29)26-20-7-3-4-8-20/h5,9,11-13,15,20,22H,3-4,6-8,10,14,16H2,1-2H3,(H,26,29)/t22-/m1/s1.
What are the key properties of N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide?
N-cyclopentyl-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide 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-2-[3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 92635216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).