N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide

C21H23N3O3 — CID 53300158

IUPACN-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide
SMILESO=C(NC1CCCC1)C1c2ccccc2OCC(=O)N1Cc1ccccn1
InChIInChI=1S/C21H23N3O3/c25-19-14-27-18-11-4-3-10-17(18)20(21(26)23-15-7-1-2-8-15)24(19)13-16-9-5-6-12-22-16/h3-6,9-12,15,20H,1-2,7-8,13-14H2,(H,23,26)
InChIKeyJUMZJYBEXFPJID-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.60
Rot. Bonds4

About N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide

N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide (PubChem CID 53300158) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide
PubChem CID53300158
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide
SMILESO=C(NC1CCCC1)C1c2ccccc2OCC(=O)N1Cc1ccccn1
InChIInChI=1S/C21H23N3O3/c25-19-14-27-18-11-4-3-10-17(18)20(21(26)23-15-7-1-2-8-15)24(19)13-16-9-5-6-12-22-16/h3-6,9-12,15,20H,1-2,7-8,13-14H2,(H,23,26)
InChIKeyJUMZJYBEXFPJID-UHFFFAOYSA-N
XLogP2.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide (CID 53300158) is N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide is O=C(NC1CCCC1)C1c2ccccc2OCC(=O)N1Cc1ccccn1.
What is the InChIKey of N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide?
The InChIKey is JUMZJYBEXFPJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19-14-27-18-11-4-3-10-17(18)20(21(26)23-15-7-1-2-8-15)24(19)13-16-9-5-6-12-22-16/h3-6,9-12,15,20H,1-2,7-8,13-14H2,(H,23,26).
What are the key properties of N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide?
N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-oxo-4-(pyridin-2-ylmethyl)-5H-1,4-benzoxazepine-5-carboxamide is sourced from PubChem (CID 53300158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).