N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide

C23H23N3O4 — CID 134809220

IUPACN-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)NC(C)(COc2cccnc2)CO3)c1
InChIInChI=1S/C23H23N3O4/c1-23(14-29-19-7-4-10-24-13-19)15-30-21-9-8-16(11-20(21)26-23)22(27)25-17-5-3-6-18(12-17)28-2/h3-13,26H,14-15H2,1-2H3,(H,25,27)
InChIKeyFSSWUOKJSFTSAO-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.98
Rot. Bonds6

About N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide

N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 134809220) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide
PubChem CID134809220
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc3c(c2)NC(C)(COc2cccnc2)CO3)c1
InChIInChI=1S/C23H23N3O4/c1-23(14-29-19-7-4-10-24-13-19)15-30-21-9-8-16(11-20(21)26-23)22(27)25-17-5-3-6-18(12-17)28-2/h3-13,26H,14-15H2,1-2H3,(H,25,27)
InChIKeyFSSWUOKJSFTSAO-UHFFFAOYSA-N
XLogP3.98
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide
CID 134807111
N-[3-[(3-methyloxetan-3-yl)methoxy]phenyl]pyridine-3-carboxamide
CID 165130586
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765121
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
3-methoxy-N-(3-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673404
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide (CID 134809220) is N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide is COc1cccc(NC(=O)c2ccc3c(c2)NC(C)(COc2cccnc2)CO3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide?
The InChIKey is FSSWUOKJSFTSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-23(14-29-19-7-4-10-24-13-19)15-30-21-9-8-16(11-20(21)26-23)22(27)25-17-5-3-6-18(12-17)28-2/h3-13,26H,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide?
N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 134809220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).