4-benzylpyridine-2-carboxamide

C13H12N2O — CID 22748758

IUPAC4-benzylpyridine-2-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)ccn1
InChIInChI=1S/C13H12N2O/c14-13(16)12-9-11(6-7-15-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,16)
InChIKeyZSCWOLVJGCGTLN-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.77
Rot. Bonds3

About 4-benzylpyridine-2-carboxamide

4-benzylpyridine-2-carboxamide (PubChem CID 22748758) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-benzylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-benzylpyridine-2-carboxamide
PubChem CID22748758
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-benzylpyridine-2-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)ccn1
InChIInChI=1S/C13H12N2O/c14-13(16)12-9-11(6-7-15-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,16)
InChIKeyZSCWOLVJGCGTLN-UHFFFAOYSA-N
XLogP1.77
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzylpyridine-2-carboxamide?
The IUPAC name of 4-benzylpyridine-2-carboxamide (CID 22748758) is 4-benzylpyridine-2-carboxamide.
What is the SMILES notation for 4-benzylpyridine-2-carboxamide?
The canonical SMILES for 4-benzylpyridine-2-carboxamide is NC(=O)c1cc(Cc2ccccc2)ccn1.
What is the InChIKey of 4-benzylpyridine-2-carboxamide?
The InChIKey is ZSCWOLVJGCGTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13(16)12-9-11(6-7-15-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,16).
What are the key properties of 4-benzylpyridine-2-carboxamide?
4-benzylpyridine-2-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylpyridine-2-carboxamide is sourced from PubChem (CID 22748758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).