6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide

C15H21N3O — CID 84575175

IUPAC6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C15H21N3O/c1-2-10-16-15(19)13-8-7-9-14(17-13)18-11-5-3-4-6-12-18/h2,7-9H,1,3-6,10-12H2,(H,16,19)
InChIKeyYREZPLVYCQKFQD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.38
Rot. Bonds4

About 6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide

6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 84575175) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID84575175
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cccc(N2CCCCCC2)n1
InChIInChI=1S/C15H21N3O/c1-2-10-16-15(19)13-8-7-9-14(17-13)18-11-5-3-4-6-12-18/h2,7-9H,1,3-6,10-12H2,(H,16,19)
InChIKeyYREZPLVYCQKFQD-UHFFFAOYSA-N
XLogP2.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
6-(azepan-1-yl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 84573830
N-[3-(dimethylamino)propyl]-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573694
6-(3,4-dihydro-2H-quinolin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 84574378
6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094007
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746
6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
CID 84573847
N-ethyl-N-(2-hydroxyethyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575190
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
N-(2-ethylphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573709
N-[2-(4-methoxyphenoxy)ethyl]-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573585

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide (CID 84575175) is 6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1cccc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is YREZPLVYCQKFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-10-16-15(19)13-8-7-9-14(17-13)18-11-5-3-4-6-12-18/h2,7-9H,1,3-6,10-12H2,(H,16,19).
What are the key properties of 6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 84575175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).