5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one

C23H30N4O2 — CID 110253350

IUPAC5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCN(C3CCCC3)CC(Cc3ccccn3)C2)ccc1=O
InChIInChI=1S/C23H30N4O2/c1-25-17-19(9-10-22(25)28)23(29)27-13-12-26(21-7-2-3-8-21)15-18(16-27)14-20-6-4-5-11-24-20/h4-6,9-11,17-18,21H,2-3,7-8,12-16H2,1H3
InChIKeyGKCMXCWXONBROK-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.34
Rot. Bonds4

About 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one

5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 110253350) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
PubChem CID110253350
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCN(C3CCCC3)CC(Cc3ccccn3)C2)ccc1=O
InChIInChI=1S/C23H30N4O2/c1-25-17-19(9-10-22(25)28)23(29)27-13-12-26(21-7-2-3-8-21)15-18(16-27)14-20-6-4-5-11-24-20/h4-6,9-11,17-18,21H,2-3,7-8,12-16H2,1H3
InChIKeyGKCMXCWXONBROK-UHFFFAOYSA-N
XLogP2.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

(6R)-1-cyclopentyl-6-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-1,4-diazepane
CID 95815409
1-cyclopentyl-6-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-1,4-diazepane
CID 110253314
(2R)-N-methyl-4-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-pyridin-2-ylethyl)morpholine-2-carboxamide
CID 92633000
1-cyclopentyl-4-(4-fluorophenyl)sulfonyl-6-(pyridin-2-ylmethyl)-1,4-diazepane
CID 110253305
1-methyl-5-[(3S)-3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95289755
3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124697707
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
[4-methylsulfonyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110252413
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
(4-ethylphenyl)-[4-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 121451736

Frequently Asked Questions

What is the IUPAC name of 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one (CID 110253350) is 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCN(C3CCCC3)CC(Cc3ccccn3)C2)ccc1=O.
What is the InChIKey of 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is GKCMXCWXONBROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-25-17-19(9-10-22(25)28)23(29)27-13-12-26(21-7-2-3-8-21)15-18(16-27)14-20-6-4-5-11-24-20/h4-6,9-11,17-18,21H,2-3,7-8,12-16H2,1H3.
What are the key properties of 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one?
5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 394.52 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyclopentyl-6-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 110253350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).