N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide

C23H25N3O — CID 23633012

IUPACN-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccnc1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H25N3O/c1-15(2)18-10-12-19(13-11-18)25-22-20(9-6-14-24-22)23(27)26-21-16(3)7-5-8-17(21)4/h5-15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyQLQGFOJCULYECA-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.82
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide

N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 23633012) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID23633012
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cccnc1Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H25N3O/c1-15(2)18-10-12-19(13-11-18)25-22-20(9-6-14-24-22)23(27)26-21-16(3)7-5-8-17(21)4/h5-15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyQLQGFOJCULYECA-UHFFFAOYSA-N
XLogP5.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-methylanilino)pyridine-3-carboxamide
CID 23633002
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
N-(4-chlorophenyl)-2-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 23632609
2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 23633001
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
2-anilino-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632392
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82787554
2-(2,6-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 23632545
methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate
CID 22603043
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide (CID 23633012) is N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1cccnc1Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is QLQGFOJCULYECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15(2)18-10-12-19(13-11-18)25-22-20(9-6-14-24-22)23(27)26-21-16(3)7-5-8-17(21)4/h5-15H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide?
N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.82, 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)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 23633012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).