3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide

C16H21N3O — CID 107524951

IUPAC3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
SMILESCCN(CC1CCC1)C(=O)c1ncccc1C#CCN
InChIInChI=1S/C16H21N3O/c1-2-19(12-13-6-3-7-13)16(20)15-14(8-4-10-17)9-5-11-18-15/h5,9,11,13H,2-3,6-7,10,12,17H2,1H3
InChIKeyWLJZLJKQJJEXAK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.65
Rot. Bonds4

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

3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide (PubChem CID 107524951) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
PubChem CID107524951
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
SMILESCCN(CC1CCC1)C(=O)c1ncccc1C#CCN
InChIInChI=1S/C16H21N3O/c1-2-19(12-13-6-3-7-13)16(20)15-14(8-4-10-17)9-5-11-18-15/h5,9,11,13H,2-3,6-7,10,12,17H2,1H3
InChIKeyWLJZLJKQJJEXAK-UHFFFAOYSA-N
XLogP1.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide (CID 107524951) is 3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide is CCN(CC1CCC1)C(=O)c1ncccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide?
The InChIKey is WLJZLJKQJJEXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19(12-13-6-3-7-13)16(20)15-14(8-4-10-17)9-5-11-18-15/h5,9,11,13H,2-3,6-7,10,12,17H2,1H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 107524951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).