N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide

C23H25N3O — CID 109235944

IUPACN-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cncc(NCCc2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-3-19-11-7-8-17(2)22(19)26-23(27)20-14-21(16-24-15-20)25-13-12-18-9-5-4-6-10-18/h4-11,14-16,25H,3,12-13H2,1-2H3,(H,26,27)
InChIKeyNMWIIUCTKLXLFB-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.86
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide

N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109235944) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
PubChem CID109235944
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cncc(NCCc2ccccc2)c1
InChIInChI=1S/C23H25N3O/c1-3-19-11-7-8-17(2)22(19)26-23(27)20-14-21(16-24-15-20)25-13-12-18-9-5-4-6-10-18/h4-11,14-16,25H,3,12-13H2,1-2H3,(H,26,27)
InChIKeyNMWIIUCTKLXLFB-UHFFFAOYSA-N
XLogP4.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236356
N-(2-ethyl-6-methylphenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236678
N-(2-ethyl-6-methylphenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231539
5-(2-ethyl-6-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236445
5-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243693
N-(3-fluorophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235989
N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235964
5-(N-ethylanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243612
5-(tert-butylamino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109239408
3-N-(2-ethyl-6-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101431
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide
CID 109104102

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide (CID 109235944) is N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide is CCc1cccc(C)c1NC(=O)c1cncc(NCCc2ccccc2)c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is NMWIIUCTKLXLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-19-11-7-8-17(2)22(19)26-23(27)20-14-21(16-24-15-20)25-13-12-18-9-5-4-6-10-18/h4-11,14-16,25H,3,12-13H2,1-2H3,(H,26,27).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide?
N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).