6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide

C20H23N3O3 — CID 95042437

IUPAC6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-16-9-6-14(7-10-16)18-5-3-2-4-12-23(18)20(25)17-11-8-15(13-22-17)19(21)24/h6-11,13,18H,2-5,12H2,1H3,(H2,21,24)/t18-/m0/s1
InChIKeyLYWLCFQEMCDIQC-SFHVURJKSA-N
MW353.42 g/mol
LogP2.95
Rot. Bonds4

About 6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide

6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide (PubChem CID 95042437) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide
PubChem CID95042437
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-16-9-6-14(7-10-16)18-5-3-2-4-12-23(18)20(25)17-11-8-15(13-22-17)19(21)24/h6-11,13,18H,2-5,12H2,1H3,(H2,21,24)/t18-/m0/s1
InChIKeyLYWLCFQEMCDIQC-SFHVURJKSA-N
XLogP2.95
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(thiadiazol-4-yl)methanone
CID 94645487
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 119137717
(5-bromo-3-pyridinyl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796701
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
6-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]pyridine-3-carboxamide
CID 97345604
1-[4-[2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 46637926
N-[4-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31797117
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
(3,6-dichloro-2-pyridinyl)-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31797521

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide (CID 95042437) is 6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide is COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is LYWLCFQEMCDIQC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-16-9-6-14(7-10-16)18-5-3-2-4-12-23(18)20(25)17-11-8-15(13-22-17)19(21)24/h6-11,13,18H,2-5,12H2,1H3,(H2,21,24)/t18-/m0/s1.
What are the key properties of 6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide?
6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 95042437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).