(2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide

C23H27N5O4 — CID 124976414

IUPAC(2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H27N5O4/c1-25-11-12-27(23(32)16-8-9-20(29)26(2)14-16)15-19(25)22(31)24-17-5-3-6-18(13-17)28-10-4-7-21(28)30/h3,5-6,8-9,13-14,19H,4,7,10-12,15H2,1-2H3,(H,24,31)/t19-/m1/s1
InChIKeyLFHXIHASBLDGLM-LJQANCHMSA-N
MW437.50 g/mol
LogP0.91
Rot. Bonds4

About (2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide

(2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide (PubChem CID 124976414) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is (2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide
PubChem CID124976414
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name(2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H27N5O4/c1-25-11-12-27(23(32)16-8-9-20(29)26(2)14-16)15-19(25)22(31)24-17-5-3-6-18(13-17)28-10-4-7-21(28)30/h3,5-6,8-9,13-14,19H,4,7,10-12,15H2,1-2H3,(H,24,31)/t19-/m1/s1
InChIKeyLFHXIHASBLDGLM-LJQANCHMSA-N
XLogP0.91
TPSA94.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
1-cyclopentyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71912128
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
CID 51213619
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692820
N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51213620
1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 110310472
1-[3-[(6R)-4-acetyl-6-hydroxy-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 97130043
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide (CID 124976414) is (2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide is CN1CCN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1C(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of (2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide?
The InChIKey is LFHXIHASBLDGLM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-25-11-12-27(23(32)16-8-9-20(29)26(2)14-16)15-19(25)22(31)24-17-5-3-6-18(13-17)28-10-4-7-21(28)30/h3,5-6,8-9,13-14,19H,4,7,10-12,15H2,1-2H3,(H,24,31)/t19-/m1/s1.
What are the key properties of (2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide?
(2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-2-carboxamide is sourced from PubChem (CID 124976414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).