4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide

C20H15ClFN3O2 — CID 109091494

IUPAC4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1)c1ccccc1
InChIInChI=1S/C20H15ClFN3O2/c1-25(15-5-3-2-4-6-15)20(27)18-11-13(9-10-23-18)19(26)24-14-7-8-17(22)16(21)12-14/h2-12H,1H3,(H,24,26)
InChIKeyGHOQBQKIKQFKIG-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.40
Rot. Bonds4

About 4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide

4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109091494) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109091494
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCN(C(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1)c1ccccc1
InChIInChI=1S/C20H15ClFN3O2/c1-25(15-5-3-2-4-6-15)20(27)18-11-13(9-10-23-18)19(26)24-14-7-8-17(22)16(21)12-14/h2-12H,1H3,(H,24,26)
InChIKeyGHOQBQKIKQFKIG-UHFFFAOYSA-N
XLogP4.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-chlorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091489
4-(3-chloro-4-fluoroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219361
2-N-methyl-4-N-(4-methylphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091261
4-N-(4-methoxyphenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091500
4-N-(3-chloro-4-fluorophenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092643
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091011
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972
methyl 3-[[2-[methyl(phenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109091517
4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092396
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092970
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092969

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide (CID 109091494) is 4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide is CN(C(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1)c1ccccc1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is GHOQBQKIKQFKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c1-25(15-5-3-2-4-6-15)20(27)18-11-13(9-10-23-18)19(26)24-14-7-8-17(22)16(21)12-14/h2-12H,1H3,(H,24,26).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide?
4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 383.81 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109091494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).