7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C23H22N4O4 — CID 24824191

IUPAC7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)OCCN3C(=O)Nc2ccc(C)cc2)ccn1
InChIInChI=1S/C23H22N4O4/c1-15-3-5-16(6-4-15)26-23(29)27-11-12-30-21-14-17(7-8-20(21)27)31-18-9-10-25-19(13-18)22(28)24-2/h3-10,13-14H,11-12H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyZVVSVJWTXJEMLP-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.97
Rot. Bonds4

About 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 24824191) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID24824191
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)OCCN3C(=O)Nc2ccc(C)cc2)ccn1
InChIInChI=1S/C23H22N4O4/c1-15-3-5-16(6-4-15)26-23(29)27-11-12-30-21-14-17(7-8-20(21)27)31-18-9-10-25-19(13-18)22(28)24-2/h3-10,13-14H,11-12H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyZVVSVJWTXJEMLP-UHFFFAOYSA-N
XLogP3.97
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-5-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-2,3-dihydroindole-1-carboxamide
CID 90939443
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 52944388
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521483
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 52941668
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
N-(4-phenoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346245

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 24824191) is 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)OCCN3C(=O)Nc2ccc(C)cc2)ccn1.
What is the InChIKey of 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is ZVVSVJWTXJEMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-15-3-5-16(6-4-15)26-23(29)27-11-12-30-21-14-17(7-8-20(21)27)31-18-9-10-25-19(13-18)22(28)24-2/h3-10,13-14H,11-12H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 24824191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).