5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide

C16H21N3O — CID 62953663

IUPAC5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(C#CCN)cn1)C1CCCC1
InChIInChI=1S/C16H21N3O/c1-2-19(14-7-3-4-8-14)16(20)15-10-9-13(12-18-15)6-5-11-17/h9-10,12,14H,2-4,7-8,11,17H2,1H3
InChIKeyQPQKTEQTOOOTKP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.80
Rot. Bonds3

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

5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide (PubChem CID 62953663) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
PubChem CID62953663
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(C#CCN)cn1)C1CCCC1
InChIInChI=1S/C16H21N3O/c1-2-19(14-7-3-4-8-14)16(20)15-10-9-13(12-18-15)6-5-11-17/h9-10,12,14H,2-4,7-8,11,17H2,1H3
InChIKeyQPQKTEQTOOOTKP-UHFFFAOYSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
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-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 63655157
5-(aminomethyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 63723531
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 62952665
5-(3-aminoprop-1-ynyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 62960481
5-(3-aminoprop-1-ynyl)-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62960675
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-ethylamino]acetate
CID 62954701
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 62960500
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 63699160
5-(3-aminoprop-1-ynyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 63275515

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide (CID 62953663) is 5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide is CCN(C(=O)c1ccc(C#CCN)cn1)C1CCCC1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide?
The InChIKey is QPQKTEQTOOOTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19(14-7-3-4-8-14)16(20)15-10-9-13(12-18-15)6-5-11-17/h9-10,12,14H,2-4,7-8,11,17H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 62953663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).