6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one

C19H22N2O2 — CID 154863854

IUPAC6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1C(=O)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c1-14-17(9-10-18(22)20-14)19(23)21-12-5-8-16(11-13-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,22)
InChIKeyCKXRALYHTRTOQG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.09
Rot. Bonds2

About 6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one

6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one (PubChem CID 154863854) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
PubChem CID154863854
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1C(=O)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c1-14-17(9-10-18(22)20-14)19(23)21-12-5-8-16(11-13-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,22)
InChIKeyCKXRALYHTRTOQG-UHFFFAOYSA-N
XLogP3.09
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
(2,5-dimethylthiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 24660786
[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 99609284
3-(4-methylpiperidine-1-carbonyl)-5-(4-phenylazepane-1-carbonyl)-1-propan-2-ylpyridin-4-one
CID 45197914
(2-chloro-6-methyl-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 143724817
1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one
CID 42458784
3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
CID 77081700
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 79783331
methyl 6-[(4R)-4-phenylazepane-1-carbonyl]pyridine-2-carboxylate
CID 95174970
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
[1-[(2-methylphenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25449029

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one (CID 154863854) is 6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one is Cc1[nH]c(=O)ccc1C(=O)N1CCCC(c2ccccc2)CC1.
What is the InChIKey of 6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is CKXRALYHTRTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-17(9-10-18(22)20-14)19(23)21-12-5-8-16(11-13-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,22).
What are the key properties of 6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one?
6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 310.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 154863854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).