(2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide

C18H19N3O2 — CID 146125547

IUPAC(2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCC(=O)N2)ccc1-c1ccncc1
InChIInChI=1S/C18H19N3O2/c1-12-11-14(5-6-15(12)13-7-9-19-10-8-13)20-18(23)16-3-2-4-17(22)21-16/h5-11,16H,2-4H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyLUBAXKVSKYWYEQ-MRXNPFEDSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds3

About (2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide

(2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide (PubChem CID 146125547) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide
PubChem CID146125547
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCC(=O)N2)ccc1-c1ccncc1
InChIInChI=1S/C18H19N3O2/c1-12-11-14(5-6-15(12)13-7-9-19-10-8-13)20-18(23)16-3-2-4-17(22)21-16/h5-11,16H,2-4H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyLUBAXKVSKYWYEQ-MRXNPFEDSA-N
XLogP2.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
CID 125136193
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
1-[(3-methyl-4-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122094127
(2R)-6-oxo-N-(4-phenoxyphenyl)piperidine-2-carboxamide
CID 146122694
(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide
CID 124504924
(2R)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-6-oxopiperidine-2-carboxamide
CID 146122029
ethyl 2-hydroxy-5-[[(2R)-7-oxoazepane-2-carbonyl]amino]benzoate
CID 125143991
(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide
CID 146122047
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide
CID 125145251
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257
5-methyl-N-(3-methyl-4-pyridin-4-ylphenyl)-1,4-thiazepane-4-carboxamide
CID 126817151

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide (CID 146125547) is (2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide is Cc1cc(NC(=O)[C@H]2CCCC(=O)N2)ccc1-c1ccncc1.
What is the InChIKey of (2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide?
The InChIKey is LUBAXKVSKYWYEQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-11-14(5-6-15(12)13-7-9-19-10-8-13)20-18(23)16-3-2-4-17(22)21-16/h5-11,16H,2-4H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide?
(2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146125547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).