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

C14H13ClN2O — CID 857477

IUPAC6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN2O/c15-13-7-6-12(10-17-13)14(18)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,16,18)
InChIKeyRTGCRJSFORDNBF-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.71
Rot. Bonds4

About 6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide

6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 857477) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID857477
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)nc1
InChIInChI=1S/C14H13ClN2O/c15-13-7-6-12(10-17-13)14(18)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,16,18)
InChIKeyRTGCRJSFORDNBF-UHFFFAOYSA-N
XLogP2.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide (CID 857477) is 6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is RTGCRJSFORDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-13-7-6-12(10-17-13)14(18)16-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,16,18).
What are the key properties of 6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide?
6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 260.72 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 857477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).