2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide

C20H17ClFN3O — CID 155546368

IUPAC2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)ccc1F
InChIInChI=1S/C20H17ClFN3O/c1-11-4-3-5-16(21)18(11)25-20(26)15-9-14(10-24-19(15)23)13-6-7-17(22)12(2)8-13/h3-10H,1-2H3,(H2,23,24)(H,25,26)
InChIKeyNWDFFSNVVNEJMS-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.99
Rot. Bonds3

About 2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide

2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide (PubChem CID 155546368) has the molecular formula C20H17ClFN3O and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
PubChem CID155546368
Molecular FormulaC20H17ClFN3O
Molecular Weight369.83 g/mol
Exact Mass369.10
IUPAC Name2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)ccc1F
InChIInChI=1S/C20H17ClFN3O/c1-11-4-3-5-16(21)18(11)25-20(26)15-9-14(10-24-19(15)23)13-6-7-17(22)12(2)8-13/h3-10H,1-2H3,(H2,23,24)(H,25,26)
InChIKeyNWDFFSNVVNEJMS-UHFFFAOYSA-N
XLogP4.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide (CID 155546368) is 2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide is Cc1cc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)ccc1F.
What is the InChIKey of 2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is NWDFFSNVVNEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O/c1-11-4-3-5-16(21)18(11)25-20(26)15-9-14(10-24-19(15)23)13-6-7-17(22)12(2)8-13/h3-10H,1-2H3,(H2,23,24)(H,25,26).
What are the key properties of 2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide?
2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-6-methylphenyl)-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 155546368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).