N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide

C22H23N3O — CID 109210807

IUPACN-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(NC(C)c2ccccc2)ccn1
InChIInChI=1S/C22H23N3O/c1-15-8-7-9-16(2)21(15)25-22(26)20-14-19(12-13-23-20)24-17(3)18-10-5-4-6-11-18/h4-14,17H,1-3H3,(H,23,24)(H,25,26)
InChIKeyVKIMXKKTXZTACO-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.12
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide

N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109210807) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
PubChem CID109210807
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(NC(C)c2ccccc2)ccn1
InChIInChI=1S/C22H23N3O/c1-15-8-7-9-16(2)21(15)25-22(26)20-14-19(12-13-23-20)24-17(3)18-10-5-4-6-11-18/h4-14,17H,1-3H3,(H,23,24)(H,25,26)
InChIKeyVKIMXKKTXZTACO-UHFFFAOYSA-N
XLogP5.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210797
N-(4-acetylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210842
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210827
4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109210872
N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210831
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210753
N-[2-(3-chlorophenyl)ethyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210794
4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
N-(2-ethyl-6-methylphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304772
4-anilino-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109218850

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide (CID 109210807) is N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide is Cc1cccc(C)c1NC(=O)c1cc(NC(C)c2ccccc2)ccn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is VKIMXKKTXZTACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-8-7-9-16(2)21(15)25-22(26)20-14-19(12-13-23-20)24-17(3)18-10-5-4-6-11-18/h4-14,17H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide?
N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109210807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).