5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide

C13H18ClN3O — CID 113400496

IUPAC5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(Cl)cn2)CCCNC1
InChIInChI=1S/C13H18ClN3O/c1-13(5-2-6-15-8-13)9-17-12(18)11-4-3-10(14)7-16-11/h3-4,7,15H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyFEQGDEPKNWDHSF-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.85
Rot. Bonds3

About 5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide

5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 113400496) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
PubChem CID113400496
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(Cl)cn2)CCCNC1
InChIInChI=1S/C13H18ClN3O/c1-13(5-2-6-15-8-13)9-17-12(18)11-4-3-10(14)7-16-11/h3-4,7,15H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyFEQGDEPKNWDHSF-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
CID 104671755
5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 113359954
6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63829285
5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103753315
5-(ethylamino)-N-[(1-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 104641394
1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654303
2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 113400479
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215
N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040294
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 113400462

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide (CID 113400496) is 5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide is CC1(CNC(=O)c2ccc(Cl)cn2)CCCNC1.
What is the InChIKey of 5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is FEQGDEPKNWDHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-13(5-2-6-15-8-13)9-17-12(18)11-4-3-10(14)7-16-11/h3-4,7,15H,2,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide?
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 113400496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).