N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide

C22H23N3O — CID 109188383

IUPACN-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(NCCc3ccccc3)cn2)c1
InChIInChI=1S/C22H23N3O/c1-17-6-5-9-19(14-17)15-25-22(26)21-11-10-20(16-24-21)23-13-12-18-7-3-2-4-8-18/h2-11,14,16,23H,12-13,15H2,1H3,(H,25,26)
InChIKeyXYFRZUBFKCSQST-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.97
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide

N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109188383) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
PubChem CID109188383
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(NCCc3ccccc3)cn2)c1
InChIInChI=1S/C22H23N3O/c1-17-6-5-9-19(14-17)15-25-22(26)21-11-10-20(16-24-21)23-13-12-18-7-3-2-4-8-18/h2-11,14,16,23H,12-13,15H2,1H3,(H,25,26)
InChIKeyXYFRZUBFKCSQST-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
5-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188420
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210175
N-(2,5-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191889
5-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188428
5-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641105
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide (CID 109188383) is N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide is Cc1cccc(CNC(=O)c2ccc(NCCc3ccccc3)cn2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is XYFRZUBFKCSQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17-6-5-9-19(14-17)15-25-22(26)21-11-10-20(16-24-21)23-13-12-18-7-3-2-4-8-18/h2-11,14,16,23H,12-13,15H2,1H3,(H,25,26).
What are the key properties of N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide?
N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109188383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).