2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

C20H17ClFN3O — CID 109169934

IUPAC2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(Nc3ccc(F)c(Cl)c3)c2)cc1
InChIInChI=1S/C20H17ClFN3O/c1-13-2-4-14(5-3-13)12-24-20(26)15-8-9-23-19(10-15)25-16-6-7-18(22)17(21)11-16/h2-11H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyFFIBDIPJVUCOFO-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.86
Rot. Bonds5

About 2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109169934) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID109169934
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(Nc3ccc(F)c(Cl)c3)c2)cc1
InChIInChI=1S/C20H17ClFN3O/c1-13-2-4-14(5-3-13)12-24-20(26)15-8-9-23-19(10-15)25-16-6-7-18(22)17(21)11-16/h2-11H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyFFIBDIPJVUCOFO-UHFFFAOYSA-N
XLogP4.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169969
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
N-[(4-chlorophenyl)methyl]-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109170915
2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172025
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169821
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172024

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (CID 109169934) is 2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2ccnc(Nc3ccc(F)c(Cl)c3)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is FFIBDIPJVUCOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-13-2-4-14(5-3-13)12-24-20(26)15-8-9-23-19(10-15)25-16-6-7-18(22)17(21)11-16/h2-11H,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109169934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).