N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

C20H17ClFN3O — CID 109155687

IUPACN-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C20H17ClFN3O/c1-13-4-2-3-5-14(13)11-23-19-9-6-15(12-24-19)20(26)25-16-7-8-18(22)17(21)10-16/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyXUDPIXWTKVQPKE-UHFFFAOYSA-N
MW369.83 g/mol
LogP5.05
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109155687) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109155687
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccccc1CNc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C20H17ClFN3O/c1-13-4-2-3-5-14(13)11-23-19-9-6-15(12-24-19)20(26)25-16-7-8-18(22)17(21)10-16/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyXUDPIXWTKVQPKE-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-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
N-(4-acetylphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155703
N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155684
N-(3-chlorophenyl)-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156799
N-(3,4-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109157129
4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
N-(5-chloro-2-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155689
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109156789
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169746
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257939
N-(3-chloro-4-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184769

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109155687) is N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccccc1CNc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is XUDPIXWTKVQPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-13-4-2-3-5-14(13)11-23-19-9-6-15(12-24-19)20(26)25-16-7-8-18(22)17(21)10-16/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-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)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109155687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).