N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide

C20H17ClFN3O — CID 109169709

IUPACN-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCc1ccccc1CNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C20H17ClFN3O/c1-13-4-2-3-5-15(13)12-24-19-10-14(8-9-23-19)20(26)25-16-6-7-18(22)17(21)11-16/h2-11H,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyFHXJDOKWIHWQQD-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.05
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109169709) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
PubChem CID109169709
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
SMILESCc1ccccc1CNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C20H17ClFN3O/c1-13-4-2-3-5-15(13)12-24-19-10-14(8-9-23-19)20(26)25-16-6-7-18(22)17(21)11-16/h2-11H,12H2,1H3,(H,23,24)(H,25,26)
InChIKeyFHXJDOKWIHWQQD-UHFFFAOYSA-N
XLogP5.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.83
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169746
N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155687
N-(3-chloro-4-methoxyphenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169710
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172559
N-(4-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170825
N-[4-(diethylamino)phenyl]-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169732
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091011
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170839
N-(3-acetamidophenyl)-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170520
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
CID 109171471

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide (CID 109169709) is N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide is Cc1ccccc1CNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is FHXJDOKWIHWQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-13-4-2-3-5-15(13)12-24-19-10-14(8-9-23-19)20(26)25-16-6-7-18(22)17(21)11-16/h2-11H,12H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 5.05, 5 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)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109169709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).