6-amino-N-benzyl-5-chloropyridine-3-carboxamide

C13H12ClN3O — CID 62153073

IUPAC6-amino-N-benzyl-5-chloropyridine-3-carboxamide
SMILESNc1ncc(C(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C13H12ClN3O/c14-11-6-10(8-16-12(11)15)13(18)17-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,15,16)(H,17,18)
InChIKeyAJKYNTAKFJLFPX-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.25
Rot. Bonds3

About 6-amino-N-benzyl-5-chloropyridine-3-carboxamide

6-amino-N-benzyl-5-chloropyridine-3-carboxamide (PubChem CID 62153073) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-amino-N-benzyl-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-benzyl-5-chloropyridine-3-carboxamide
PubChem CID62153073
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name6-amino-N-benzyl-5-chloropyridine-3-carboxamide
SMILESNc1ncc(C(=O)NCc2ccccc2)cc1Cl
InChIInChI=1S/C13H12ClN3O/c14-11-6-10(8-16-12(11)15)13(18)17-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,15,16)(H,17,18)
InChIKeyAJKYNTAKFJLFPX-UHFFFAOYSA-N
XLogP2.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-5-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 55043054
6-amino-5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 62186973
6-amino-5-chloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 55043681
6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 115601161
6-amino-5-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 62156043
6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
6-amino-5-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78990903
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
N-[(1-aminoisoquinolin-6-yl)methyl]-6-benzyl-5-chloropyridine-3-carboxamide
CID 167585958
5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 63311124
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-benzyl-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-amino-N-benzyl-5-chloropyridine-3-carboxamide (CID 62153073) is 6-amino-N-benzyl-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-benzyl-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-benzyl-5-chloropyridine-3-carboxamide is Nc1ncc(C(=O)NCc2ccccc2)cc1Cl.
What is the InChIKey of 6-amino-N-benzyl-5-chloropyridine-3-carboxamide?
The InChIKey is AJKYNTAKFJLFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-6-10(8-16-12(11)15)13(18)17-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-N-benzyl-5-chloropyridine-3-carboxamide?
6-amino-N-benzyl-5-chloropyridine-3-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-benzyl-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 62153073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).