5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide

C16H21N3O — CID 63655157

IUPAC5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C16H21N3O/c1-19(12-14-5-2-3-6-14)16(20)15-9-8-13(11-18-15)7-4-10-17/h8-9,11,14H,2-3,5-6,10,12,17H2,1H3
InChIKeyGOOMDSXNCSRNBS-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.65
Rot. Bonds3

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

5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 63655157) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID63655157
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1ccc(C#CCN)cn1
InChIInChI=1S/C16H21N3O/c1-19(12-14-5-2-3-6-14)16(20)15-9-8-13(11-18-15)7-4-10-17/h8-9,11,14H,2-3,5-6,10,12,17H2,1H3
InChIKeyGOOMDSXNCSRNBS-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide (CID 63655157) is 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide is CN(CC1CCCC1)C(=O)c1ccc(C#CCN)cn1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is GOOMDSXNCSRNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(12-14-5-2-3-6-14)16(20)15-9-8-13(11-18-15)7-4-10-17/h8-9,11,14H,2-3,5-6,10,12,17H2,1H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.65, 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-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63655157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).