5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide

C14H17N3O — CID 62960645

IUPAC5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NC2CCCC2)nc1
InChIInChI=1S/C14H17N3O/c15-9-3-4-11-7-8-13(16-10-11)14(18)17-12-5-1-2-6-12/h7-8,10,12H,1-2,5-6,9,15H2,(H,17,18)
InChIKeyREUVQZQZVZRINH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.06
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide (PubChem CID 62960645) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
PubChem CID62960645
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NC2CCCC2)nc1
InChIInChI=1S/C14H17N3O/c15-9-3-4-11-7-8-13(16-10-11)14(18)17-12-5-1-2-6-12/h7-8,10,12H,1-2,5-6,9,15H2,(H,17,18)
InChIKeyREUVQZQZVZRINH-UHFFFAOYSA-N
XLogP1.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide
CID 62952662
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960476
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 62953663
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 63655157
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 62960500
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 62958354

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide (CID 62960645) is 5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide is NCC#Cc1ccc(C(=O)NC2CCCC2)nc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide?
The InChIKey is REUVQZQZVZRINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-3-4-11-7-8-13(16-10-11)14(18)17-12-5-1-2-6-12/h7-8,10,12H,1-2,5-6,9,15H2,(H,17,18).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide is sourced from PubChem (CID 62960645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).