N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

C13H17N3O2 — CID 113223600

IUPACN-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)NC2)cn1
InChIInChI=1S/C13H17N3O2/c1-9-2-3-10(6-14-9)7-16-13(18)11-4-5-12(17)15-8-11/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyRARSSBKUDRYRTG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.53
Rot. Bonds3

About N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 113223600) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID113223600
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)NC2)cn1
InChIInChI=1S/C13H17N3O2/c1-9-2-3-10(6-14-9)7-16-13(18)11-4-5-12(17)15-8-11/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyRARSSBKUDRYRTG-UHFFFAOYSA-N
XLogP0.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119853598
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
(3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 126443586
N-[(3-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 82748805
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 78941991
6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223533
N-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 112728690
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 94170855
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (CID 113223600) is N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)NC2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is RARSSBKUDRYRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-2-3-10(6-14-9)7-16-13(18)11-4-5-12(17)15-8-11/h2-3,6,11H,4-5,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 113223600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).