N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide

C20H17ClFN3O — CID 109242960

IUPACN-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1C
InChIInChI=1S/C20H17ClFN3O/c1-12-3-4-15(7-13(12)2)24-17-8-14(10-23-11-17)20(26)25-16-5-6-19(22)18(21)9-16/h3-11,24H,1-2H3,(H,25,26)
InChIKeyWZPIETRSMWRXFW-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.49
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109242960) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
PubChem CID109242960
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1C
InChIInChI=1S/C20H17ClFN3O/c1-12-3-4-15(7-13(12)2)24-17-8-14(10-23-11-17)20(26)25-16-5-6-19(22)18(21)9-16/h3-11,24H,1-2H3,(H,25,26)
InChIKeyWZPIETRSMWRXFW-UHFFFAOYSA-N
XLogP5.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
5-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242674
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104
N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109242899
3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108356
5-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109244782
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
5-(3-chloro-4-fluoroanilino)-N-cyclopropylpyridine-3-carboxamide
CID 109223675
methyl 3-[[5-[(3,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242927
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide (CID 109242960) is N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2cncc(C(=O)Nc3ccc(F)c(Cl)c3)c2)cc1C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is WZPIETRSMWRXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-12-3-4-15(7-13(12)2)24-17-8-14(10-23-11-17)20(26)25-16-5-6-19(22)18(21)9-16/h3-11,24H,1-2H3,(H,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).