6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

C13H11ClFN3O — CID 55043681

IUPAC6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ncc(C(=O)NCc2ccccc2F)cc1Cl
InChIInChI=1S/C13H11ClFN3O/c14-10-5-9(7-17-12(10)16)13(19)18-6-8-3-1-2-4-11(8)15/h1-5,7H,6H2,(H2,16,17)(H,18,19)
InChIKeyLIMIWHHBSUDBLE-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.39
Rot. Bonds3

About 6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 55043681) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID55043681
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1ncc(C(=O)NCc2ccccc2F)cc1Cl
InChIInChI=1S/C13H11ClFN3O/c14-10-5-9(7-17-12(10)16)13(19)18-6-8-3-1-2-4-11(8)15/h1-5,7H,6H2,(H2,16,17)(H,18,19)
InChIKeyLIMIWHHBSUDBLE-UHFFFAOYSA-N
XLogP2.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739738
6-amino-5-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78990903
6-amino-5-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 55043054
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
N-[(2-fluorophenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 110851225
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 62186973
6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 115601161
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (CID 55043681) is 6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is Nc1ncc(C(=O)NCc2ccccc2F)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is LIMIWHHBSUDBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-10-5-9(7-17-12(10)16)13(19)18-6-8-3-1-2-4-11(8)15/h1-5,7H,6H2,(H2,16,17)(H,18,19).
What are the key properties of 6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55043681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).