1-benzyl-2H-pyridine-4-carboxamide

C13H14N2O — CID 13227960

IUPAC1-benzyl-2H-pyridine-4-carboxamide
SMILESNC(=O)C1=CCN(Cc2ccccc2)C=C1
InChIInChI=1S/C13H14N2O/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,14,16)
InChIKeyRMXVBGHAWIJJMN-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.43
Rot. Bonds3

About 1-benzyl-2H-pyridine-4-carboxamide

1-benzyl-2H-pyridine-4-carboxamide (PubChem CID 13227960) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-benzyl-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-2H-pyridine-4-carboxamide
PubChem CID13227960
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-benzyl-2H-pyridine-4-carboxamide
SMILESNC(=O)C1=CCN(Cc2ccccc2)C=C1
InChIInChI=1S/C13H14N2O/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,14,16)
InChIKeyRMXVBGHAWIJJMN-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2H-pyridine-4-carboxamide?
The IUPAC name of 1-benzyl-2H-pyridine-4-carboxamide (CID 13227960) is 1-benzyl-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-benzyl-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-benzyl-2H-pyridine-4-carboxamide is NC(=O)C1=CCN(Cc2ccccc2)C=C1.
What is the InChIKey of 1-benzyl-2H-pyridine-4-carboxamide?
The InChIKey is RMXVBGHAWIJJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-13(16)12-6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,14,16).
What are the key properties of 1-benzyl-2H-pyridine-4-carboxamide?
1-benzyl-2H-pyridine-4-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2H-pyridine-4-carboxamide is sourced from PubChem (CID 13227960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).