2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide

C15H13N3O3 — CID 126805171

IUPAC2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)Nc2ccncc2)NC1=O
InChIInChI=1S/C15H13N3O3/c1-9-14(19)18-12-4-2-3-11(13(12)21-9)15(20)17-10-5-7-16-8-6-10/h2-9H,1H3,(H,18,19)(H,16,17,20)
InChIKeyMYMUJJUDJAJMKR-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.05
Rot. Bonds2

About 2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide

2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 126805171) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide
PubChem CID126805171
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide
SMILESCC1Oc2c(cccc2C(=O)Nc2ccncc2)NC1=O
InChIInChI=1S/C15H13N3O3/c1-9-14(19)18-12-4-2-3-11(13(12)21-9)15(20)17-10-5-7-16-8-6-10/h2-9H,1H3,(H,18,19)(H,16,17,20)
InChIKeyMYMUJJUDJAJMKR-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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Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701906
N-(3,4-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701895
2-methyl-3-oxo-N-(pyridin-4-ylmethyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701855
2-methyl-2-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]phenyl]propanoic acid
CID 119253854
(2S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 95330780
2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701815
(2R)-2-methyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 95348443
2-methyl-N-[3-(methylamino)propyl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119434263
(2S)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 97311116
(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide
CID 121278040
N-(3-aminobutyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119499696
N-[1-(2,6-dichlorophenyl)cyclopropyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 139006513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide (CID 126805171) is 2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide is CC1Oc2c(cccc2C(=O)Nc2ccncc2)NC1=O.
What is the InChIKey of 2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is MYMUJJUDJAJMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-14(19)18-12-4-2-3-11(13(12)21-9)15(20)17-10-5-7-16-8-6-10/h2-9H,1H3,(H,18,19)(H,16,17,20).
What are the key properties of 2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide?
2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-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 2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 126805171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).