5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide

C13H10Cl2FN3O — CID 114924765

IUPAC5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2c(F)cccc2Cl)c(Cl)cn1
InChIInChI=1S/C13H10Cl2FN3O/c1-17-11-5-7(9(15)6-18-11)13(20)19-12-8(14)3-2-4-10(12)16/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyQYSYMEASNNVEIM-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.82
Rot. Bonds3

About 5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114924765) has the molecular formula C13H10Cl2FN3O and a molecular weight of 314.15 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114924765
Molecular FormulaC13H10Cl2FN3O
Molecular Weight314.15 g/mol
Exact Mass313.02
IUPAC Name5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2c(F)cccc2Cl)c(Cl)cn1
InChIInChI=1S/C13H10Cl2FN3O/c1-17-11-5-7(9(15)6-18-11)13(20)19-12-8(14)3-2-4-10(12)16/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyQYSYMEASNNVEIM-UHFFFAOYSA-N
XLogP3.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
5-chloro-N-(3-chloro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 103094800
N-(3-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924481
5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560
5-chloro-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924828
N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114921871
N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922037
5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114923271
5-chloro-2-(methylamino)-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923981
N-(1H-benzimidazol-2-yl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114923550
5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114922058
N-(2-chloro-6-fluorophenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138521565

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide (CID 114924765) is 5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2c(F)cccc2Cl)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is QYSYMEASNNVEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O/c1-17-11-5-7(9(15)6-18-11)13(20)19-12-8(14)3-2-4-10(12)16/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 314.15 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114924765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).