2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide

C13H17N3O — CID 113277885

IUPAC2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide
SMILESNCc1cc(C(=O)NC2CC=CCC2)ccn1
InChIInChI=1S/C13H17N3O/c14-9-12-8-10(6-7-15-12)13(17)16-11-4-2-1-3-5-11/h1-2,6-8,11H,3-5,9,14H2,(H,16,17)
InChIKeyVFUGFQOBOXYCRO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.38
Rot. Bonds3

About 2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide

2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide (PubChem CID 113277885) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide
PubChem CID113277885
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide
SMILESNCc1cc(C(=O)NC2CC=CCC2)ccn1
InChIInChI=1S/C13H17N3O/c14-9-12-8-10(6-7-15-12)13(17)16-11-4-2-1-3-5-11/h1-2,6-8,11H,3-5,9,14H2,(H,16,17)
InChIKeyVFUGFQOBOXYCRO-UHFFFAOYSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohex-3-en-1-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055718
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 113277733
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483
N-(2-adamantyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114325830
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 114326766
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
CID 83036644
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide (CID 113277885) is 2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide is NCc1cc(C(=O)NC2CC=CCC2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide?
The InChIKey is VFUGFQOBOXYCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-9-12-8-10(6-7-15-12)13(17)16-11-4-2-1-3-5-11/h1-2,6-8,11H,3-5,9,14H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide?
2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 113277885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).