2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide

C14H12N4O3 — CID 110683130

IUPAC2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide
SMILESCC1Oc2ccc(C(=O)Nc3ncccn3)cc2NC1=O
InChIInChI=1S/C14H12N4O3/c1-8-12(19)17-10-7-9(3-4-11(10)21-8)13(20)18-14-15-5-2-6-16-14/h2-8H,1H3,(H,17,19)(H,15,16,18,20)
InChIKeyOVVHNRKSJNEBOV-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.45
Rot. Bonds2

About 2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide

2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 110683130) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide
PubChem CID110683130
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide
SMILESCC1Oc2ccc(C(=O)Nc3ncccn3)cc2NC1=O
InChIInChI=1S/C14H12N4O3/c1-8-12(19)17-10-7-9(3-4-11(10)21-8)13(20)18-14-15-5-2-6-16-14/h2-8H,1H3,(H,17,19)(H,15,16,18,20)
InChIKeyOVVHNRKSJNEBOV-UHFFFAOYSA-N
XLogP1.45
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide
CID 110683129
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 116827630
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide
CID 110682825
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
2-methyl-6-(pyridine-4-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43340904
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
CID 17424246
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
2-methyl-3-oxo-N-prop-2-enyl-4H-1,4-benzoxazine-6-carboxamide
CID 110683012
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 9145088
3-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129774

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide (CID 110683130) is 2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide is CC1Oc2ccc(C(=O)Nc3ncccn3)cc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is OVVHNRKSJNEBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-8-12(19)17-10-7-9(3-4-11(10)21-8)13(20)18-14-15-5-2-6-16-14/h2-8H,1H3,(H,17,19)(H,15,16,18,20).
What are the key properties of 2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide?
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 110683130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).