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

C19H14Cl2FN3O — CID 155552244

IUPAC2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(F)c(Cl)c2)cnc1N
InChIInChI=1S/C19H14Cl2FN3O/c1-10-3-2-4-14(20)17(10)25-19(26)13-7-12(9-24-18(13)23)11-5-6-16(22)15(21)8-11/h2-9H,1H3,(H2,23,24)(H,25,26)
InChIKeyMFQUGNJCZZEIQW-UHFFFAOYSA-N
MW390.25 g/mol
LogP5.34
Rot. Bonds3

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

2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide (PubChem CID 155552244) has the molecular formula C19H14Cl2FN3O and a molecular weight of 390.25 g/mol. Its IUPAC name is 2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide
PubChem CID155552244
Molecular FormulaC19H14Cl2FN3O
Molecular Weight390.25 g/mol
Exact Mass389.05
IUPAC Name2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(F)c(Cl)c2)cnc1N
InChIInChI=1S/C19H14Cl2FN3O/c1-10-3-2-4-14(20)17(10)25-19(26)13-7-12(9-24-18(13)23)11-5-6-16(22)15(21)8-11/h2-9H,1H3,(H2,23,24)(H,25,26)
InChIKeyMFQUGNJCZZEIQW-UHFFFAOYSA-N
XLogP5.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.25
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide (CID 155552244) is 2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(F)c(Cl)c2)cnc1N.
What is the InChIKey of 2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide?
The InChIKey is MFQUGNJCZZEIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O/c1-10-3-2-4-14(20)17(10)25-19(26)13-7-12(9-24-18(13)23)11-5-6-16(22)15(21)8-11/h2-9H,1H3,(H2,23,24)(H,25,26).
What are the key properties of 2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide?
2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide has a molecular weight of 390.25 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-chloro-4-fluorophenyl)-N-(2-chloro-6-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 155552244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).