5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide

C18H23N3O — CID 109195188

IUPAC5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(NC(C)(C)C)cn2)c1
InChIInChI=1S/C18H23N3O/c1-12-6-7-13(2)16(10-12)20-17(22)15-9-8-14(11-19-15)21-18(3,4)5/h6-11,21H,1-5H3,(H,20,22)
InChIKeyMHCAVXFAOIFYJE-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.16
Rot. Bonds3

About 5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide

5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109195188) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109195188
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(NC(C)(C)C)cn2)c1
InChIInChI=1S/C18H23N3O/c1-12-6-7-13(2)16(10-12)20-17(22)15-9-8-14(11-19-15)21-18(3,4)5/h6-11,21H,1-5H3,(H,20,22)
InChIKeyMHCAVXFAOIFYJE-UHFFFAOYSA-N
XLogP4.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639934
N-(2,5-dimethylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639933
N-(2-bromo-4-methylphenyl)-5-(tert-butylamino)pyridine-2-carboxamide
CID 109195255
5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109181676
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
N-(2,5-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191889
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
5-(2,5-dimethylanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197157
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949
N-(2,5-dimethylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109198052
N-(2,5-dimethylphenyl)-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109198040
5-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 104640093

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide (CID 109195188) is 5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc(NC(C)(C)C)cn2)c1.
What is the InChIKey of 5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is MHCAVXFAOIFYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-6-7-13(2)16(10-12)20-17(22)15-9-8-14(11-19-15)21-18(3,4)5/h6-11,21H,1-5H3,(H,20,22).
What are the key properties of 5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide?
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).