5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide

C18H23N3O — CID 109239400

IUPAC5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(NC(C)(C)C)c2)c1C
InChIInChI=1S/C18H23N3O/c1-12-7-6-8-16(13(12)2)20-17(22)14-9-15(11-19-10-14)21-18(3,4)5/h6-11,21H,1-5H3,(H,20,22)
InChIKeyWXALSXHBGNPKBD-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.16
Rot. Bonds3

About 5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide

5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 109239400) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
PubChem CID109239400
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(NC(C)(C)C)c2)c1C
InChIInChI=1S/C18H23N3O/c1-12-7-6-8-16(13(12)2)20-17(22)14-9-15(11-19-10-14)21-18(3,4)5/h6-11,21H,1-5H3,(H,20,22)
InChIKeyWXALSXHBGNPKBD-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

5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109239410
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395
N-(4-bromo-2-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239464
5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109243240
N-(2,3-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233461
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
5-(tert-butylamino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109239408

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide (CID 109239400) is 5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cncc(NC(C)(C)C)c2)c1C.
What is the InChIKey of 5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is WXALSXHBGNPKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-7-6-8-16(13(12)2)20-17(22)14-9-15(11-19-10-14)21-18(3,4)5/h6-11,21H,1-5H3,(H,20,22).
What are the key properties of 5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide?
5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-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-(2,3-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).