1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide

C13H20N4O — CID 103194591

IUPAC1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(CN)cn2)C1
InChIInChI=1S/C13H20N4O/c1-15-13(18)11-3-2-6-17(9-11)12-5-4-10(7-14)8-16-12/h4-5,8,11H,2-3,6-7,9,14H2,1H3,(H,15,18)
InChIKeyZTSRKNRQAVGFPU-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.50
Rot. Bonds3

About 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide

1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194591) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194591
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(CN)cn2)C1
InChIInChI=1S/C13H20N4O/c1-15-13(18)11-3-2-6-17(9-11)12-5-4-10(7-14)8-16-12/h4-5,8,11H,2-3,6-7,9,14H2,1H3,(H,15,18)
InChIKeyZTSRKNRQAVGFPU-UHFFFAOYSA-N
XLogP0.50
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 80632237
(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 95785321
1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
CID 103197016
1-[5-[(2-ethylphenyl)carbamoylamino]-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 50842368
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
N-methyl-1-pyridazin-3-ylpiperidine-3-carboxamide
CID 110269425
1-(6-hydrazinylpyrazin-2-yl)-N-methylpiperidine-3-carboxamide
CID 103198738
1-[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196779
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide (CID 103194591) is 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc(CN)cn2)C1.
What is the InChIKey of 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is ZTSRKNRQAVGFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-15-13(18)11-3-2-6-17(9-11)12-5-4-10(7-14)8-16-12/h4-5,8,11H,2-3,6-7,9,14H2,1H3,(H,15,18).
What are the key properties of 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide?
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).