N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C15H13N3O4 — CID 17455965

IUPACN-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cn1
InChIInChI=1S/C15H13N3O4/c1-21-14-5-3-10(7-16-14)17-15(20)9-2-4-12-11(6-9)18-13(19)8-22-12/h2-7H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyPXCCGERUPFAQOD-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.67
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 17455965) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID17455965
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cn1
InChIInChI=1S/C15H13N3O4/c1-21-14-5-3-10(7-16-14)17-15(20)9-2-4-12-11(6-9)18-13(19)8-22-12/h2-7H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyPXCCGERUPFAQOD-UHFFFAOYSA-N
XLogP1.67
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55618967
N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55504919
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
3-oxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-1,4-benzoxazine-7-carboxamide
CID 30269288
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17462651
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 17455965) is N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is PXCCGERUPFAQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-21-14-5-3-10(7-16-14)17-15(20)9-2-4-12-11(6-9)18-13(19)8-22-12/h2-7H,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 17455965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).