1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide

C14H22N4O — CID 103194922

IUPAC1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2cccnc2CN)C1
InChIInChI=1S/C14H22N4O/c1-16-14(19)12-5-3-7-18(10-12)9-11-4-2-6-17-13(11)8-15/h2,4,6,12H,3,5,7-10,15H2,1H3,(H,16,19)
InChIKeyLWHRZAOMKUTWPQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.50
Rot. Bonds4

About 1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide

1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194922) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194922
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(Cc2cccnc2CN)C1
InChIInChI=1S/C14H22N4O/c1-16-14(19)12-5-3-7-18(10-12)9-11-4-2-6-17-13(11)8-15/h2,4,6,12H,3,5,7-10,15H2,1H3,(H,16,19)
InChIKeyLWHRZAOMKUTWPQ-UHFFFAOYSA-N
XLogP0.50
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194899
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 103196622
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55217914
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
CID 62888575
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
1-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methylpiperidine-3-carboxamide
CID 103198148

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide (CID 103194922) is 1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(Cc2cccnc2CN)C1.
What is the InChIKey of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is LWHRZAOMKUTWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-16-14(19)12-5-3-7-18(10-12)9-11-4-2-6-17-13(11)8-15/h2,4,6,12H,3,5,7-10,15H2,1H3,(H,16,19).
What are the key properties of 1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide?
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).