N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide

C15H13N3O3 — CID 17424246

IUPACN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cccnc3)cc2NC1=O
InChIInChI=1S/C15H13N3O3/c1-9-14(19)18-12-7-11(4-5-13(12)21-9)17-15(20)10-3-2-6-16-8-10/h2-9H,1H3,(H,17,20)(H,18,19)
InChIKeyVQZSVMHJPAOVRT-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.05
Rot. Bonds2

About N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide (PubChem CID 17424246) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
PubChem CID17424246
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cccnc3)cc2NC1=O
InChIInChI=1S/C15H13N3O3/c1-9-14(19)18-12-7-11(4-5-13(12)21-9)17-15(20)10-3-2-6-16-8-10/h2-9H,1H3,(H,17,20)(H,18,19)
InChIKeyVQZSVMHJPAOVRT-UHFFFAOYSA-N
XLogP2.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129774
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
CID 40686360
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(trifluoromethyl)benzamide
CID 17413197
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3H-benzimidazole-5-carboxamide
CID 25350582
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778271
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzothiazole-6-carboxamide
CID 41176931
4-(diethylamino)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40973912
2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide (CID 17424246) is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide is CC1Oc2ccc(NC(=O)c3cccnc3)cc2NC1=O.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide?
The InChIKey is VQZSVMHJPAOVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-14(19)18-12-7-11(4-5-13(12)21-9)17-15(20)10-3-2-6-16-8-10/h2-9H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide?
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 17424246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).