6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide

C12H16ClN3O — CID 172815704

IUPAC6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCCCC2)c(Cl)n1
InChIInChI=1S/C12H16ClN3O/c1-14-12(17)9-5-6-10(11(13)15-9)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3,(H,14,17)
InChIKeySTXIKBVZMUMHPF-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.08
Rot. Bonds2

About 6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide

6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 172815704) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide
PubChem CID172815704
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCCCC2)c(Cl)n1
InChIInChI=1S/C12H16ClN3O/c1-14-12(17)9-5-6-10(11(13)15-9)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3,(H,14,17)
InChIKeySTXIKBVZMUMHPF-UHFFFAOYSA-N
XLogP2.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide
CID 172768945
5-[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748297
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748271
6-chloro-5-piperazin-1-yl-N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 178131938
6-chloro-N,5-dimethylpyridine-2-carboxamide;ethane
CID 170981052
2-N,6-N-dimethyl-4-piperidin-1-ylpyridine-2,6-dicarboxamide
CID 13235645
6-chloro-5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524577
tert-butyl (3R)-4-[2-chloro-6-(methylcarbamoyl)-3-pyridinyl]-3-methylpiperazine-1-carboxylate
CID 178182435
ethane;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 168900115
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536
6-chloro-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560429
6-chloro-5-[4-[(3-ethyl-2-oxo-1H-1,6-naphthyridin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586931

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide (CID 172815704) is 6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCCCC2)c(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is STXIKBVZMUMHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-14-12(17)9-5-6-10(11(13)15-9)16-7-3-2-4-8-16/h5-6H,2-4,7-8H2,1H3,(H,14,17).
What are the key properties of 6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide?
6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-5-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 172815704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).