[3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride

C13H20Cl2N4O — CID 75469364

IUPAC[3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride
SMILESCNc1cc(C(=O)N2CCCC(CN)C2)cc(Cl)n1.Cl
InChIInChI=1S/C13H19ClN4O.ClH/c1-16-12-6-10(5-11(14)17-12)13(19)18-4-2-3-9(7-15)8-18;/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,17);1H
InChIKeyWXUNDGRFJFATNF-UHFFFAOYSA-N
MW319.24 g/mol
LogP2.01
Rot. Bonds3

About [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride

[3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride (PubChem CID 75469364) has the molecular formula C13H20Cl2N4O and a molecular weight of 319.24 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride
PubChem CID75469364
Molecular FormulaC13H20Cl2N4O
Molecular Weight319.24 g/mol
Exact Mass318.10
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride
SMILESCNc1cc(C(=O)N2CCCC(CN)C2)cc(Cl)n1.Cl
InChIInChI=1S/C13H19ClN4O.ClH/c1-16-12-6-10(5-11(14)17-12)13(19)18-4-2-3-9(7-15)8-18;/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,17);1H
InChIKeyWXUNDGRFJFATNF-UHFFFAOYSA-N
XLogP2.01
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride 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

(3R)-1-[2-chloro-6-(methylamino)pyridine-4-carbonyl]piperidine-3-carboxylic acid
CID 99718166
[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186716
(2-chloro-6-hydrazinyl-4-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62247185
(2-chloro-6-methyl-4-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 104954666
[3-(aminomethyl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone;hydrochloride
CID 119464798
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875022
[2-chloro-6-(propylamino)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102969355
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 78954257
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-chloro-6-(methylamino)-4-pyridinyl]methanone
CID 78954215

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride (CID 75469364) is [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride is CNc1cc(C(=O)N2CCCC(CN)C2)cc(Cl)n1.Cl.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride?
The InChIKey is WXUNDGRFJFATNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O.ClH/c1-16-12-6-10(5-11(14)17-12)13(19)18-4-2-3-9(7-15)8-18;/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,17);1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride has a molecular weight of 319.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-[2-chloro-6-(methylamino)-4-pyridinyl]methanone;hydrochloride is sourced from PubChem (CID 75469364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).