2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide

C13H10Cl2FN3O — CID 114923313

IUPAC2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2ccc(F)c(Cl)c2)c(Cl)cn1
InChIInChI=1S/C13H10Cl2FN3O/c14-9-3-7(1-2-11(9)16)5-19-13(20)8-4-12(17)18-6-10(8)15/h1-4,6H,5H2,(H2,17,18)(H,19,20)
InChIKeyRCYBLWYTIHWFTL-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.04
Rot. Bonds3

About 2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide

2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 114923313) has the molecular formula C13H10Cl2FN3O and a molecular weight of 314.15 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID114923313
Molecular FormulaC13H10Cl2FN3O
Molecular Weight314.15 g/mol
Exact Mass313.02
IUPAC Name2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCc2ccc(F)c(Cl)c2)c(Cl)cn1
InChIInChI=1S/C13H10Cl2FN3O/c14-9-3-7(1-2-11(9)16)5-19-13(20)8-4-12(17)18-6-10(8)15/h1-4,6H,5H2,(H2,17,18)(H,19,20)
InChIKeyRCYBLWYTIHWFTL-UHFFFAOYSA-N
XLogP3.04
TPSA68.01 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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
2-amino-5-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 114922684
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-chloropyridine-4-carboxamide
CID 114923373
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide
CID 166319426
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81240302
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide (CID 114923313) is 2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide is Nc1cc(C(=O)NCc2ccc(F)c(Cl)c2)c(Cl)cn1.
What is the InChIKey of 2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is RCYBLWYTIHWFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O/c14-9-3-7(1-2-11(9)16)5-19-13(20)8-4-12(17)18-6-10(8)15/h1-4,6H,5H2,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide?
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 314.15 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114923313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).