methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide

C26H24N4O4 — CID 158924931

IUPACmethane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide
SMILESC.CN1C(=O)[C@@H](NC(=O)c2cccc(Oc3ccccc3)n2)COc2ccc3ncccc3c21
InChIInChI=1S/C25H20N4O4.CH4/c1-29-23-17-9-6-14-26-18(17)12-13-21(23)32-15-20(25(29)31)28-24(30)19-10-5-11-22(27-19)33-16-7-3-2-4-8-16;/h2-14,20H,15H2,1H3,(H,28,30);1H4/t20-;/m0./s1
InChIKeyJIHVTBLQSATEHT-BDQAORGHSA-N
MW456.50 g/mol
LogP4.21
Rot. Bonds4

About methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide

methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide (PubChem CID 158924931) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound Namemethane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide
PubChem CID158924931
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Namemethane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide
SMILESC.CN1C(=O)[C@@H](NC(=O)c2cccc(Oc3ccccc3)n2)COc2ccc3ncccc3c21
InChIInChI=1S/C25H20N4O4.CH4/c1-29-23-17-9-6-14-26-18(17)12-13-21(23)32-15-20(25(29)31)28-24(30)19-10-5-11-22(27-19)33-16-7-3-2-4-8-16;/h2-14,20H,15H2,1H3,(H,28,30);1H4/t20-;/m0./s1
InChIKeyJIHVTBLQSATEHT-BDQAORGHSA-N
XLogP4.21
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide
CID 118557336
5-benzyl-N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;methane
CID 159861752
N-[(3S)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide
CID 175532309
N-[5-methyl-4-oxo-7-[4,4,4-trideuterio-3-hydroxy-3-(trideuteriomethyl)but-1-ynyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]-4-phenoxypyridine-2-carboxamide
CID 155657519
N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-(1-phenylcyclopropyl)-1H-pyrazole-3-carboxamide
CID 130299263
5-benzyl-N-[(3S)-6-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557299
5-benzyl-N-[(3R)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzothiazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;methane
CID 158241509
N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-prop-2-enoxybenzamide
CID 118557165
4-[(2-fluoro-3-pyridinyl)oxy]-N-[(3S)-7-(3-hydroxy-3-methylbut-1-ynyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide
CID 172786876
N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-(1-phenylcyclopropyl)-1,3-oxazole-4-carboxamide
CID 130299197
6-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-2-carboxamide
CID 113343314
N-methyl-6-phenoxy-N-phenylpyridine-2-carboxamide
CID 59881185

Frequently Asked Questions

What is the IUPAC name of methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide?
The IUPAC name of methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide (CID 158924931) is methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide.
What is the SMILES notation for methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide?
The canonical SMILES for methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide is C.CN1C(=O)[C@@H](NC(=O)c2cccc(Oc3ccccc3)n2)COc2ccc3ncccc3c21.
What is the InChIKey of methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide?
The InChIKey is JIHVTBLQSATEHT-BDQAORGHSA-N. The full InChI is InChI=1S/C25H20N4O4.CH4/c1-29-23-17-9-6-14-26-18(17)12-13-21(23)32-15-20(25(29)31)28-24(30)19-10-5-11-22(27-19)33-16-7-3-2-4-8-16;/h2-14,20H,15H2,1H3,(H,28,30);1H4/t20-;/m0./s1.
What are the key properties of methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide?
methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-6-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 158924931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).