N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide

C22H23N3O — CID 109213524

IUPACN-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NCCc2ccccc2)ccn1
InChIInChI=1S/C22H23N3O/c26-22(25-15-12-19-9-5-2-6-10-19)21-17-20(13-16-24-21)23-14-11-18-7-3-1-4-8-18/h1-10,13,16-17H,11-12,14-15H2,(H,23,24)(H,25,26)
InChIKeyFXCXAXQMBHEZDP-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.71
Rot. Bonds8

About N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide

N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109213524) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
PubChem CID109213524
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NCCc2ccccc2)ccn1
InChIInChI=1S/C22H23N3O/c26-22(25-15-12-19-9-5-2-6-10-19)21-17-20(13-16-24-21)23-14-11-18-7-3-1-4-8-18/h1-10,13,16-17H,11-12,14-15H2,(H,23,24)(H,25,26)
InChIKeyFXCXAXQMBHEZDP-UHFFFAOYSA-N
XLogP3.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383
N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202307
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109210644

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide (CID 109213524) is N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1cc(NCCc2ccccc2)ccn1.
What is the InChIKey of N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is FXCXAXQMBHEZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(25-15-12-19-9-5-2-6-10-19)21-17-20(13-16-24-21)23-14-11-18-7-3-1-4-8-18/h1-10,13,16-17H,11-12,14-15H2,(H,23,24)(H,25,26).
What are the key properties of N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).