N-(2-phenylethyl)pyridine-3-carboxamide

C14H14N2O — CID 668779

IUPACN-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccnc1
InChIInChI=1S/C14H14N2O/c17-14(13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H,16,17)
InChIKeyIWAOAHRHJXBSFV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.05
Rot. Bonds4

About N-(2-phenylethyl)pyridine-3-carboxamide

N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 668779) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID668779
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccnc1
InChIInChI=1S/C14H14N2O/c17-14(13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H,16,17)
InChIKeyIWAOAHRHJXBSFV-UHFFFAOYSA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)pyridine-3-carboxamide (CID 668779) is N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1cccnc1.
What is the InChIKey of N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is IWAOAHRHJXBSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H,16,17).
What are the key properties of N-(2-phenylethyl)pyridine-3-carboxamide?
N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 668779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).