N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

C23H23N3O3 — CID 162667349

IUPACN-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCOc1cccc(N(C)C(=O)N2CCOc3ccc(-c4ccncc4)cc3C2)c1
InChIInChI=1S/C23H23N3O3/c1-25(20-4-3-5-21(15-20)28-2)23(27)26-12-13-29-22-7-6-18(14-19(22)16-26)17-8-10-24-11-9-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyYKSNUQNFEPMXPI-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.21
Rot. Bonds3

About N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (PubChem CID 162667349) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
PubChem CID162667349
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCOc1cccc(N(C)C(=O)N2CCOc3ccc(-c4ccncc4)cc3C2)c1
InChIInChI=1S/C23H23N3O3/c1-25(20-4-3-5-21(15-20)28-2)23(27)26-12-13-29-22-7-6-18(14-19(22)16-26)17-8-10-24-11-9-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyYKSNUQNFEPMXPI-UHFFFAOYSA-N
XLogP4.21
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (CID 162667349) is N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is COc1cccc(N(C)C(=O)N2CCOc3ccc(-c4ccncc4)cc3C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The InChIKey is YKSNUQNFEPMXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-25(20-4-3-5-21(15-20)28-2)23(27)26-12-13-29-22-7-6-18(14-19(22)16-26)17-8-10-24-11-9-17/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-methyl-7-pyridin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 162667349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).