4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide

C18H23N3O2 — CID 109217002

IUPAC4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(NC(C)(C)C)ccn1
InChIInChI=1S/C18H23N3O2/c1-12-6-7-16(23-5)14(10-12)20-17(22)15-11-13(8-9-19-15)21-18(2,3)4/h6-11H,1-5H3,(H,19,21)(H,20,22)
InChIKeyOIKHXDAEBIKTGF-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.86
Rot. Bonds4

About 4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide

4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 109217002) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
PubChem CID109217002
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(NC(C)(C)C)ccn1
InChIInChI=1S/C18H23N3O2/c1-12-6-7-16(23-5)14(10-12)20-17(22)15-11-13(8-9-19-15)21-18(2,3)4/h6-11H,1-5H3,(H,19,21)(H,20,22)
InChIKeyOIKHXDAEBIKTGF-UHFFFAOYSA-N
XLogP3.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-tert-butyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089176
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219162
4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221419
4-(4-acetamidoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221861
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212313
N-(2,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109219739
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
N-(2-methoxy-5-methylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213702
N-(4-acetamidophenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109221888
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
4-N-(4-chlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092862

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide (CID 109217002) is 4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(NC(C)(C)C)ccn1.
What is the InChIKey of 4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The InChIKey is OIKHXDAEBIKTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-6-7-16(23-5)14(10-12)20-17(22)15-11-13(8-9-19-15)21-18(2,3)4/h6-11H,1-5H3,(H,19,21)(H,20,22).
What are the key properties of 4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).