N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide

C19H15ClFN3O — CID 109197511

IUPACN-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)nc2)cc1
InChIInChI=1S/C19H15ClFN3O/c1-12-2-4-13(5-3-12)23-15-7-9-18(22-11-15)19(25)24-14-6-8-17(21)16(20)10-14/h2-11,23H,1H3,(H,24,25)
InChIKeyWCHSDUHDLQPNLT-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.18
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide (PubChem CID 109197511) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
PubChem CID109197511
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)nc2)cc1
InChIInChI=1S/C19H15ClFN3O/c1-12-2-4-13(5-3-12)23-15-7-9-18(22-11-15)19(25)24-14-6-8-17(21)16(20)10-14/h2-11,23H,1H3,(H,24,25)
InChIKeyWCHSDUHDLQPNLT-UHFFFAOYSA-N
XLogP5.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.80
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
N-(3-chloro-4-fluorophenyl)-5-(3-methylanilino)pyridine-2-carboxamide
CID 109197376
5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197308
5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109199519
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197509
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109197557
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
N-(4-fluoro-3-methylphenyl)-5-methylpyridine-2-carboxamide
CID 90289728
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide (CID 109197511) is N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide is Cc1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)nc2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide?
The InChIKey is WCHSDUHDLQPNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-12-2-4-13(5-3-12)23-15-7-9-18(22-11-15)19(25)24-14-6-8-17(21)16(20)10-14/h2-11,23H,1H3,(H,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 5.18, 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-(4-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109197511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).