N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide

C22H23N3O — CID 109210644

IUPACN-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(NCCc2ccccc2)ccn1)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-17(19-10-6-3-7-11-19)25-22(26)21-16-20(13-15-24-21)23-14-12-18-8-4-2-5-9-18/h2-11,13,15-17H,12,14H2,1H3,(H,23,24)(H,25,26)
InChIKeySAQIDOMFLDQWNH-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.23
Rot. Bonds7

About N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide

N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109210644) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
PubChem CID109210644
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCC(NC(=O)c1cc(NCCc2ccccc2)ccn1)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-17(19-10-6-3-7-11-19)25-22(26)21-16-20(13-15-24-21)23-14-12-18-8-4-2-5-9-18/h2-11,13,15-17H,12,14H2,1H3,(H,23,24)(H,25,26)
InChIKeySAQIDOMFLDQWNH-UHFFFAOYSA-N
XLogP4.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
4-(furan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109209450
4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109213682
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210681
4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213674
4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210668
N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213670

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide (CID 109210644) is N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide is CC(NC(=O)c1cc(NCCc2ccccc2)ccn1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is SAQIDOMFLDQWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17(19-10-6-3-7-11-19)25-22(26)21-16-20(13-15-24-21)23-14-12-18-8-4-2-5-9-18/h2-11,13,15-17H,12,14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide?
N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109210644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).