2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide

C28H27FN4O4 — CID 144833272

IUPAC2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(Oc3cncc(C)c3)cc(=O)n(C)c2Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C28H27FN4O4/c1-17-5-10-23(22(29)12-17)32-27-26(28(35)31-15-19-6-8-20(36-4)9-7-19)24(13-25(34)33(27)3)37-21-11-18(2)14-30-16-21/h5-14,16,32H,15H2,1-4H3,(H,31,35)
InChIKeyNYVAAGBFDJUQAY-UHFFFAOYSA-N
MW502.55 g/mol
LogP5.01
Rot. Bonds8

About 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide

2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide (PubChem CID 144833272) has the molecular formula C28H27FN4O4 and a molecular weight of 502.55 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
PubChem CID144833272
Molecular FormulaC28H27FN4O4
Molecular Weight502.55 g/mol
Exact Mass502.20
IUPAC Name2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(Oc3cncc(C)c3)cc(=O)n(C)c2Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C28H27FN4O4/c1-17-5-10-23(22(29)12-17)32-27-26(28(35)31-15-19-6-8-20(36-4)9-7-19)24(13-25(34)33(27)3)37-21-11-18(2)14-30-16-21/h5-14,16,32H,15H2,1-4H3,(H,31,35)
InChIKeyNYVAAGBFDJUQAY-UHFFFAOYSA-N
XLogP5.01
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.55
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4-iodoanilino)-4-(3-methoxy-2-methylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 118041867
ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
5-(2,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234458
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 144833254
2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 58981626
5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282419
1-(2,3-dihydroxypropyl)-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 91061488
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 90973678
N-[(4-methoxyphenyl)methyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109282478
4-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212181

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide (CID 144833272) is 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide is COc1ccc(CNC(=O)c2c(Oc3cncc(C)c3)cc(=O)n(C)c2Nc2ccc(C)cc2F)cc1.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide?
The InChIKey is NYVAAGBFDJUQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O4/c1-17-5-10-23(22(29)12-17)32-27-26(28(35)31-15-19-6-8-20(36-4)9-7-19)24(13-25(34)33(27)3)37-21-11-18(2)14-30-16-21/h5-14,16,32H,15H2,1-4H3,(H,31,35).
What are the key properties of 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide?
2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide has a molecular weight of 502.55 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 144833272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).