N-(1-phenylethyl)pyridine-4-carboxamide

C14H14N2O — CID 3111420

IUPACN-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-11(12-5-3-2-4-6-12)16-14(17)13-7-9-15-10-8-13/h2-11H,1H3,(H,16,17)
InChIKeyPXAJVLWTDLKLRV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.57
Rot. Bonds3

About N-(1-phenylethyl)pyridine-4-carboxamide

N-(1-phenylethyl)pyridine-4-carboxamide (PubChem CID 3111420) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(1-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)pyridine-4-carboxamide
PubChem CID3111420
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(1-phenylethyl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C14H14N2O/c1-11(12-5-3-2-4-6-12)16-14(17)13-7-9-15-10-8-13/h2-11H,1H3,(H,16,17)
InChIKeyPXAJVLWTDLKLRV-UHFFFAOYSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of N-(1-phenylethyl)pyridine-4-carboxamide (CID 3111420) is N-(1-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-phenylethyl)pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)pyridine-4-carboxamide?
The InChIKey is PXAJVLWTDLKLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-11(12-5-3-2-4-6-12)16-14(17)13-7-9-15-10-8-13/h2-11H,1H3,(H,16,17).
What are the key properties of N-(1-phenylethyl)pyridine-4-carboxamide?
N-(1-phenylethyl)pyridine-4-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 3111420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).