N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide

C22H27N3O3 — CID 92635837

IUPACN-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
SMILESC[C@@H](CN(C)C(=O)c1cccn(CC(=O)N2CCCC2)c1=O)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-17(18-9-4-3-5-10-18)15-23(2)21(27)19-11-8-14-25(22(19)28)16-20(26)24-12-6-7-13-24/h3-5,8-11,14,17H,6-7,12-13,15-16H2,1-2H3/t17-/m0/s1
InChIKeyKWPPLNKTBXCJQK-KRWDZBQOSA-N
MW381.48 g/mol
LogP2.35
Rot. Bonds6

About N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide

N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide (PubChem CID 92635837) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
PubChem CID92635837
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
SMILESC[C@@H](CN(C)C(=O)c1cccn(CC(=O)N2CCCC2)c1=O)c1ccccc1
InChIInChI=1S/C22H27N3O3/c1-17(18-9-4-3-5-10-18)15-23(2)21(27)19-11-8-14-25(22(19)28)16-20(26)24-12-6-7-13-24/h3-5,8-11,14,17H,6-7,12-13,15-16H2,1-2H3/t17-/m0/s1
InChIKeyKWPPLNKTBXCJQK-KRWDZBQOSA-N
XLogP2.35
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-oxo-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 110246860
1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-2-oxo-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
CID 92635828
3-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
CID 92635252
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
CID 114760810
methyl 1-[2-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-2-oxoethyl]-2-oxopyridine-3-carboxylate
CID 166256424
5-[methyl-[(2S)-2-phenylpropyl]carbamoyl]furan-2-carboxylic acid
CID 99851700
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
1-(azepan-1-yl)-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]ethanone
CID 66403739
2-(N-methylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 47145142
2-(1-acetylpiperidin-4-yl)-N-methyl-N-(2-phenylpropyl)acetamide
CID 110246293
1-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 32694378

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide (CID 92635837) is N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide is C[C@@H](CN(C)C(=O)c1cccn(CC(=O)N2CCCC2)c1=O)c1ccccc1.
What is the InChIKey of N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The InChIKey is KWPPLNKTBXCJQK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17(18-9-4-3-5-10-18)15-23(2)21(27)19-11-8-14-25(22(19)28)16-20(26)24-12-6-7-13-24/h3-5,8-11,14,17H,6-7,12-13,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 92635837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).