(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone

C20H24N2O2 — CID 121146196

IUPAC(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
SMILESCCOc1ncccc1C(=O)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c1-2-24-19-18(12-8-13-21-19)20(23)22-14-7-6-11-17(15-22)16-9-4-3-5-10-16/h3-5,8-10,12-13,17H,2,6-7,11,14-15H2,1H3
InChIKeyGJPVSAUDSSJARW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.89
Rot. Bonds4

About (2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone

(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone (PubChem CID 121146196) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
PubChem CID121146196
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
SMILESCCOc1ncccc1C(=O)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c1-2-24-19-18(12-8-13-21-19)20(23)22-14-7-6-11-17(15-22)16-9-4-3-5-10-16/h3-5,8-10,12-13,17H,2,6-7,11,14-15H2,1H3
InChIKeyGJPVSAUDSSJARW-UHFFFAOYSA-N
XLogP3.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxy-3-pyridinyl)-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121147136
(2-ethoxy-3-pyridinyl)-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 125006022
[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 34729954
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 97136974

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone (CID 121146196) is (2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone is CCOc1ncccc1C(=O)N1CCCCC(c2ccccc2)C1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone?
The InChIKey is GJPVSAUDSSJARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-24-19-18(12-8-13-21-19)20(23)22-14-7-6-11-17(15-22)16-9-4-3-5-10-16/h3-5,8-10,12-13,17H,2,6-7,11,14-15H2,1H3.
What are the key properties of (2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone?
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone has a molecular weight of 324.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone is sourced from PubChem (CID 121146196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).