1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone

C20H20N2O2 — CID 94249820

IUPAC1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCCCC[C@H]1c1ccncc1
InChIInChI=1S/C20H20N2O2/c23-20(19-14-16-6-3-4-8-18(16)24-19)22-13-5-1-2-7-17(22)15-9-11-21-12-10-15/h3-4,6,8-12,14,17H,1-2,5,7,13H2/t17-/m0/s1
InChIKeyGPCVJWPAWGBNSM-KRWDZBQOSA-N
MW320.39 g/mol
LogP4.59
Rot. Bonds2

About 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone

1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone (PubChem CID 94249820) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
PubChem CID94249820
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCCCC[C@H]1c1ccncc1
InChIInChI=1S/C20H20N2O2/c23-20(19-14-16-6-3-4-8-18(16)24-19)22-13-5-1-2-7-17(22)15-9-11-21-12-10-15/h3-4,6,8-12,14,17H,1-2,5,7,13H2/t17-/m0/s1
InChIKeyGPCVJWPAWGBNSM-KRWDZBQOSA-N
XLogP4.59
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-1-benzofuran-2-yl)-[(2R)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94808587
(5-chloro-1-benzofuran-2-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764469
1-benzofuran-2-yl-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 2563679
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 40921065
1-benzofuran-2-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978326
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
3-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]chromen-2-one
CID 95788781
4-[1-(1-benzofuran-2-carbonyl)pyrrolidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 110085080
methyl 6-[(2S)-2-pyridin-4-ylazepane-1-carbonyl]pyridine-2-carboxylate
CID 96999470
methyl 6-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyridine-2-carboxylate
CID 94808535
1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone
CID 87045422

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone (CID 94249820) is 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCCCC[C@H]1c1ccncc1.
What is the InChIKey of 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone?
The InChIKey is GPCVJWPAWGBNSM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(19-14-16-6-3-4-8-18(16)24-19)22-13-5-1-2-7-17(22)15-9-11-21-12-10-15/h3-4,6,8-12,14,17H,1-2,5,7,13H2/t17-/m0/s1.
What are the key properties of 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone?
1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone has a molecular weight of 320.39 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone is sourced from PubChem (CID 94249820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).