3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one

C18H19ClN2O2 — CID 77081700

IUPAC3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C18H19ClN2O2/c19-16-11-15(12-20-17(16)22)18(23)21-9-4-7-14(8-10-21)13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,20,22)
InChIKeyJAMLJPLXHAHHNV-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.44
Rot. Bonds2

About 3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one

3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one (PubChem CID 77081700) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
PubChem CID77081700
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC(c2ccccc2)CC1
InChIInChI=1S/C18H19ClN2O2/c19-16-11-15(12-20-17(16)22)18(23)21-9-4-7-14(8-10-21)13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,20,22)
InChIKeyJAMLJPLXHAHHNV-UHFFFAOYSA-N
XLogP3.44
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 44756569
5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one
CID 56908564
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
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3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70732162
3-chloro-5-[7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepane-4-carbonyl]-1H-pyridin-2-one
CID 121192500
3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951550
3-chloro-5-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
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3-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 110683750
6-methyl-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
CID 154863854
3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95554145
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one (CID 77081700) is 3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC(c2ccccc2)CC1.
What is the InChIKey of 3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is JAMLJPLXHAHHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-16-11-15(12-20-17(16)22)18(23)21-9-4-7-14(8-10-21)13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,20,22).
What are the key properties of 3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one?
3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 330.81 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 77081700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).