6-(benzylamino)pyridine-3-carboxamide

C13H13N3O — CID 3031427

IUPAC6-(benzylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C13H13N3O/c14-13(17)11-6-7-12(16-9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,17)(H,15,16)
InChIKeyJLARFNBDECTDMW-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.79
Rot. Bonds4

About 6-(benzylamino)pyridine-3-carboxamide

6-(benzylamino)pyridine-3-carboxamide (PubChem CID 3031427) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-(benzylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)pyridine-3-carboxamide
PubChem CID3031427
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name6-(benzylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C13H13N3O/c14-13(17)11-6-7-12(16-9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,17)(H,15,16)
InChIKeyJLARFNBDECTDMW-UHFFFAOYSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(benzylamino)pyridine-3-carboxamide (CID 3031427) is 6-(benzylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)pyridine-3-carboxamide is NC(=O)c1ccc(NCc2ccccc2)nc1.
What is the InChIKey of 6-(benzylamino)pyridine-3-carboxamide?
The InChIKey is JLARFNBDECTDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-13(17)11-6-7-12(16-9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,17)(H,15,16).
What are the key properties of 6-(benzylamino)pyridine-3-carboxamide?
6-(benzylamino)pyridine-3-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)pyridine-3-carboxamide is sourced from PubChem (CID 3031427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).