5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide

C22H23N3O — CID 109191782

IUPAC5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nc2)cc1C
InChIInChI=1S/C22H23N3O/c1-16-8-9-19(14-17(16)2)25-20-10-11-21(24-15-20)22(26)23-13-12-18-6-4-3-5-7-18/h3-11,14-15,25H,12-13H2,1-2H3,(H,23,26)
InChIKeyGSFHGVVLVJGUFO-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.41
Rot. Bonds6

About 5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide

5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109191782) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109191782
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nc2)cc1C
InChIInChI=1S/C22H23N3O/c1-16-8-9-19(14-17(16)2)25-20-10-11-21(24-15-20)22(26)23-13-12-18-6-4-3-5-7-18/h3-11,14-15,25H,12-13H2,1-2H3,(H,23,26)
InChIKeyGSFHGVVLVJGUFO-UHFFFAOYSA-N
XLogP4.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191800
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191832
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191813
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192640
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194885
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641105

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109191782) is 5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)nc2)cc1C.
What is the InChIKey of 5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is GSFHGVVLVJGUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-8-9-19(14-17(16)2)25-20-10-11-21(24-15-20)22(26)23-13-12-18-6-4-3-5-7-18/h3-11,14-15,25H,12-13H2,1-2H3,(H,23,26).
What are the key properties of 5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).