4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide

C18H23N3O — CID 109216969

IUPAC4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(NC(C)(C)C)ccn1
InChIInChI=1S/C18H23N3O/c1-12-7-6-8-13(2)16(12)20-17(22)15-11-14(9-10-19-15)21-18(3,4)5/h6-11H,1-5H3,(H,19,21)(H,20,22)
InChIKeyWYFLYSJUEFLBEZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.16
Rot. Bonds3

About 4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide

4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109216969) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109216969
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(NC(C)(C)C)ccn1
InChIInChI=1S/C18H23N3O/c1-12-7-6-8-13(2)16(12)20-17(22)15-11-14(9-10-19-15)21-18(3,4)5/h6-11H,1-5H3,(H,19,21)(H,20,22)
InChIKeyWYFLYSJUEFLBEZ-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

4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210807
N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
CID 109217034
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 66256413
4-[4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220014
N-(2,6-dimethylphenyl)-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214209
4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220006
N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216786
N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62185216
4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109217021
N-(2,6-dimethylphenyl)-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214598
4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109217060

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide (CID 109216969) is 4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide is Cc1cccc(C)c1NC(=O)c1cc(NC(C)(C)C)ccn1.
What is the InChIKey of 4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is WYFLYSJUEFLBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-7-6-8-13(2)16(12)20-17(22)15-11-14(9-10-19-15)21-18(3,4)5/h6-11H,1-5H3,(H,19,21)(H,20,22).
What are the key properties of 4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide?
4-(tert-butylamino)-N-(2,6-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 4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109216969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).