N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide

C21H19N3O2 — CID 847915

IUPACN-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H19N3O2/c25-20(23-14-12-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-21(26)18-7-4-13-22-15-18/h1-11,13,15H,12,14H2,(H,23,25)(H,24,26)
InChIKeyGIWWFXBLEIHLRJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.31
Rot. Bonds6

About N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide

N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 847915) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID847915
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H19N3O2/c25-20(23-14-12-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-21(26)18-7-4-13-22-15-18/h1-11,13,15H,12,14H2,(H,23,25)(H,24,26)
InChIKeyGIWWFXBLEIHLRJ-UHFFFAOYSA-N
XLogP3.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 847915) is N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is GIWWFXBLEIHLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20(23-14-12-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-21(26)18-7-4-13-22-15-18/h1-11,13,15H,12,14H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide?
N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 847915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).