5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide

C21H23N3O2 — CID 75501574

IUPAC5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(C(=O)N2CCCCCC2/C=C/c2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c22-20(25)17-13-18(15-23-14-17)21(26)24-12-6-2-5-9-19(24)11-10-16-7-3-1-4-8-16/h1,3-4,7-8,10-11,13-15,19H,2,5-6,9,12H2,(H2,22,25)/b11-10+
InChIKeySUUPIQSCUREDAR-ZHACJKMWSA-N
MW349.43 g/mol
LogP3.28
Rot. Bonds4

About 5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide

5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide (PubChem CID 75501574) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide
PubChem CID75501574
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(C(=O)N2CCCCCC2/C=C/c2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c22-20(25)17-13-18(15-23-14-17)21(26)24-12-6-2-5-9-19(24)11-10-16-7-3-1-4-8-16/h1,3-4,7-8,10-11,13-15,19H,2,5-6,9,12H2,(H2,22,25)/b11-10+
InChIKeySUUPIQSCUREDAR-ZHACJKMWSA-N
XLogP3.28
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674341
2-methyl-6-[(2S)-2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridazin-3-one
CID 97030316
4-[2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674645
5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124890677
N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 91944122
4-[[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]amino]butanoic acid
CID 122022245
(5S)-5-[2-oxo-2-[2-[(E)-2-phenylethenyl]azepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 132971591
[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 129358849
[2-(1-aminoethyl)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119436132
[2-(2-phenylethenyl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 126786794
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
2-[(E)-2-thiophen-2-ylethenyl]azepane-1-carboxamide
CID 75502233

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of 5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide (CID 75501574) is 5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide is NC(=O)c1cncc(C(=O)N2CCCCCC2/C=C/c2ccccc2)c1.
What is the InChIKey of 5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is SUUPIQSCUREDAR-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-20(25)17-13-18(15-23-14-17)21(26)24-12-6-2-5-9-19(24)11-10-16-7-3-1-4-8-16/h1,3-4,7-8,10-11,13-15,19H,2,5-6,9,12H2,(H2,22,25)/b11-10+.
What are the key properties of 5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide?
5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 75501574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).