1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide

C22H18FN3O4 — CID 172662132

IUPAC1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C22H18FN3O4/c1-13-9-10-26(16-6-3-14(23)4-7-16)22(29)20(13)21(28)24-15-5-8-18-17(11-15)25(2)19(27)12-30-18/h3-11H,12H2,1-2H3,(H,24,28)
InChIKeyNXLOBVBQHUAWDN-UHFFFAOYSA-N
MW407.40 g/mol
LogP2.89
Rot. Bonds3

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

1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide (PubChem CID 172662132) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide
PubChem CID172662132
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC Name1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C22H18FN3O4/c1-13-9-10-26(16-6-3-14(23)4-7-16)22(29)20(13)21(28)24-15-5-8-18-17(11-15)25(2)19(27)12-30-18/h3-11H,12H2,1-2H3,(H,24,28)
InChIKeyNXLOBVBQHUAWDN-UHFFFAOYSA-N
XLogP2.89
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172663121
methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate
CID 175641008
3,4,6-trimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 35672851
N-(3-chloro-4-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763897
5-(3,4-dimethylphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35672809
1-(4-fluorophenyl)-4-methyl-2-oxo-N-(6-oxo-1H-pyridin-2-yl)pyridine-3-carboxamide
CID 175644006
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
2,2,3,3-tetramethyl-1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 146081080
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
1-(4-fluorophenyl)-4-methyl-N-(2-methylsulfanylethyl)-2-oxopyridine-3-carboxamide
CID 172658534

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide (CID 172662132) is 1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide is Cc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is NXLOBVBQHUAWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c1-13-9-10-26(16-6-3-14(23)4-7-16)22(29)20(13)21(28)24-15-5-8-18-17(11-15)25(2)19(27)12-30-18/h3-11H,12H2,1-2H3,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide?
1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172662132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).