2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

C13H21Cl2N3O — CID 119462332

IUPAC2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ncccc1C(=O)NCC1CCCNC1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-10-12(5-3-7-15-10)13(17)16-9-11-4-2-6-14-8-11;;/h3,5,7,11,14H,2,4,6,8-9H2,1H3,(H,16,17);2*1H
InChIKeyNWNBXXYGPLXRNP-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.96
Rot. Bonds3

About 2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119462332) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119462332
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ncccc1C(=O)NCC1CCCNC1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-10-12(5-3-7-15-10)13(17)16-9-11-4-2-6-14-8-11;;/h3,5,7,11,14H,2,4,6,8-9H2,1H3,(H,16,17);2*1H
InChIKeyNWNBXXYGPLXRNP-UHFFFAOYSA-N
XLogP1.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
2-morpholin-4-yl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 119461977
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-(piperidin-3-ylmethyl)quinoxaline-5-carboxamide
CID 104615453
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119461431
2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119463102
2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
CID 119460242
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (CID 119462332) is 2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is Cc1ncccc1C(=O)NCC1CCCNC1.Cl.Cl.
What is the InChIKey of 2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is NWNBXXYGPLXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c1-10-12(5-3-7-15-10)13(17)16-9-11-4-2-6-14-8-11;;/h3,5,7,11,14H,2,4,6,8-9H2,1H3,(H,16,17);2*1H.
What are the key properties of 2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119462332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).