6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide

C14H21N3O — CID 109151510

IUPAC6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCCCCC)nc1
InChIInChI=1S/C14H21N3O/c1-3-5-6-10-15-13-8-7-12(11-17-13)14(18)16-9-4-2/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,15,17)(H,16,18)
InChIKeyKXUBCNJHVUOCFE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds8

About 6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide

6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 109151510) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID109151510
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCCCCC)nc1
InChIInChI=1S/C14H21N3O/c1-3-5-6-10-15-13-8-7-12(11-17-13)14(18)16-9-4-2/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,15,17)(H,16,18)
InChIKeyKXUBCNJHVUOCFE-UHFFFAOYSA-N
XLogP2.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157775
N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
CID 109158696
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161304
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794
6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156212

Frequently Asked Questions

What is the IUPAC name of 6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide (CID 109151510) is 6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NCCCCC)nc1.
What is the InChIKey of 6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is KXUBCNJHVUOCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-5-6-10-15-13-8-7-12(11-17-13)14(18)16-9-4-2/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide?
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 109151510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).