N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride

C13H21Cl2N3O — CID 119958234

IUPACN-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
SMILESCN(Cc1cccnc1)C(=O)C1CCCCN1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-16(10-11-5-4-7-14-9-11)13(17)12-6-2-3-8-15-12;;/h4-5,7,9,12,15H,2-3,6,8,10H2,1H3;2*1H
InChIKeyMXTFLDXOKUAMKJ-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.03
Rot. Bonds3

About N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride

N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride (PubChem CID 119958234) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
PubChem CID119958234
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
SMILESCN(Cc1cccnc1)C(=O)C1CCCCN1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-16(10-11-5-4-7-14-9-11)13(17)12-6-2-3-8-15-12;;/h4-5,7,9,12,15H,2-3,6,8,10H2,1H3;2*1H
InChIKeyMXTFLDXOKUAMKJ-UHFFFAOYSA-N
XLogP2.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 104901002
N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 54873750
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64824292
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride (CID 119958234) is N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride is CN(Cc1cccnc1)C(=O)C1CCCCN1.Cl.Cl.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride?
The InChIKey is MXTFLDXOKUAMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c1-16(10-11-5-4-7-14-9-11)13(17)12-6-2-3-8-15-12;;/h4-5,7,9,12,15H,2-3,6,8,10H2,1H3;2*1H.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride?
N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119958234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).