6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide

C27H27N3O2 — CID 71161683

IUPAC6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide
SMILESCC1(C(=O)NC2CCCC2)c2ccccc2-c2ncccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H27N3O2/c1-27(26(32)29-20-12-5-6-13-20)23-16-8-7-14-21(23)24-22(15-9-17-28-24)25(31)30(27)18-19-10-3-2-4-11-19/h2-4,7-11,14-17,20H,5-6,12-13,18H2,1H3,(H,29,32)
InChIKeyIHMVGFXCQFWWJS-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.68
Rot. Bonds4

About 6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide

6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide (PubChem CID 71161683) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide
PubChem CID71161683
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide
SMILESCC1(C(=O)NC2CCCC2)c2ccccc2-c2ncccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H27N3O2/c1-27(26(32)29-20-12-5-6-13-20)23-16-8-7-14-21(23)24-22(15-9-17-28-24)25(31)30(27)18-19-10-3-2-4-11-19/h2-4,7-11,14-17,20H,5-6,12-13,18H2,1H3,(H,29,32)
InChIKeyIHMVGFXCQFWWJS-UHFFFAOYSA-N
XLogP4.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-cyclooctyl-3-methyl-1-oxo-2-(2-phenylethyl)-4H-isoquinoline-3-carboxamide
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N-cyclooctyl-3-methyl-1-oxo-6-phenyl-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
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(3S)-2-[(2-chlorophenyl)methyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
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4-benzyl-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide
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(3S)-2-[2-(azepan-1-yl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide
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(3S)-N-cyclopentyl-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
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(3S)-N-cyclopentyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92886627
(4aS,11aS)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-oxo-2,3,4,11a-tetrahydro-1H-benzo[b][1,4]benzothiazepine-4a-carboxamide
CID 11812870

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide?
The IUPAC name of 6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide (CID 71161683) is 6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide.
What is the SMILES notation for 6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide?
The canonical SMILES for 6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide is CC1(C(=O)NC2CCCC2)c2ccccc2-c2ncccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of 6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide?
The InChIKey is IHMVGFXCQFWWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-27(26(32)29-20-12-5-6-13-20)23-16-8-7-14-21(23)24-22(15-9-17-28-24)25(31)30(27)18-19-10-3-2-4-11-19/h2-4,7-11,14-17,20H,5-6,12-13,18H2,1H3,(H,29,32).
What are the key properties of 6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide?
6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-cyclopentyl-7-methyl-5-oxopyrido[3,2-d][2]benzazepine-7-carboxamide is sourced from PubChem (CID 71161683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).