5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide

C16H21N3O — CID 62953666

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCCC2CCCC2)nc1
InChIInChI=1S/C16H21N3O/c17-10-3-6-14-7-8-15(19-12-14)16(20)18-11-9-13-4-1-2-5-13/h7-8,12-13H,1-2,4-5,9-11,17H2,(H,18,20)
InChIKeyUSRSFQAHTIIZST-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.70
Rot. Bonds4

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

5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide (PubChem CID 62953666) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
PubChem CID62953666
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCCC2CCCC2)nc1
InChIInChI=1S/C16H21N3O/c17-10-3-6-14-7-8-15(19-12-14)16(20)18-11-9-13-4-1-2-5-13/h7-8,12-13H,1-2,4-5,9-11,17H2,(H,18,20)
InChIKeyUSRSFQAHTIIZST-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.70
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-cyclopentylpyridine-2-carboxamide
CID 62960645
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 63655157
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63961406
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62953500
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)pyridine-2-carboxamide
CID 62952662
5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 63241235
5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62953000
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 62953663
N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005261

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide (CID 62953666) is 5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide is NCC#Cc1ccc(C(=O)NCCC2CCCC2)nc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide?
The InChIKey is USRSFQAHTIIZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-10-3-6-14-7-8-15(19-12-14)16(20)18-11-9-13-4-1-2-5-13/h7-8,12-13H,1-2,4-5,9-11,17H2,(H,18,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.70, 4 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-(2-cyclopentylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62953666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).