N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide

C22H23N3O — CID 109213681

IUPACN-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(NCCc2ccccc2)ccn1)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-2-25(20-11-7-4-8-12-20)22(26)21-17-19(14-16-24-21)23-15-13-18-9-5-3-6-10-18/h3-12,14,16-17H,2,13,15H2,1H3,(H,23,24)
InChIKeyVFXRLJOFCMTLBF-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.40
Rot. Bonds7

About N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide

N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109213681) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
PubChem CID109213681
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCCN(C(=O)c1cc(NCCc2ccccc2)ccn1)c1ccccc1
InChIInChI=1S/C22H23N3O/c1-2-25(20-11-7-4-8-12-20)22(26)21-17-19(14-16-24-21)23-15-13-18-9-5-3-6-10-18/h3-12,14,16-17H,2,13,15H2,1H3,(H,23,24)
InChIKeyVFXRLJOFCMTLBF-UHFFFAOYSA-N
XLogP4.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213670
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109220308
N,N-dimethyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 60704743
N-ethyl-4-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214380
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087759
4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109216384
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109203268
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
4-[3-(dimethylamino)propylamino]-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109208050
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide (CID 109213681) is N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide is CCN(C(=O)c1cc(NCCc2ccccc2)ccn1)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is VFXRLJOFCMTLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-25(20-11-7-4-8-12-20)22(26)21-17-19(14-16-24-21)23-15-13-18-9-5-3-6-10-18/h3-12,14,16-17H,2,13,15H2,1H3,(H,23,24).
What are the key properties of N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide?
N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109213681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).