5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide

C23H25N3O — CID 109242026

IUPAC5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C23H25N3O/c1-16-5-9-20(10-6-16)26-22(27)17-13-21(15-24-14-17)25-19-11-7-18(8-12-19)23(2,3)4/h5-15,25H,1-4H3,(H,26,27)
InChIKeyUDSRPBXLBQRWHN-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.68
Rot. Bonds4

About 5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide

5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 109242026) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID109242026
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(Nc3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C23H25N3O/c1-16-5-9-20(10-6-16)26-22(27)17-13-21(15-24-14-17)25-19-11-7-18(8-12-19)23(2,3)4/h5-15,25H,1-4H3,(H,26,27)
InChIKeyUDSRPBXLBQRWHN-UHFFFAOYSA-N
XLogP5.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
5-(4-ethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242019
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104
N-(3,5-dichlorophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242174
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
5-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 143173797
5-N-tert-butyl-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106913
5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243019

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide (CID 109242026) is 5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(Nc3ccc(C(C)(C)C)cc3)c2)cc1.
What is the InChIKey of 5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is UDSRPBXLBQRWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-5-9-20(10-6-16)26-22(27)17-13-21(15-24-14-17)25-19-11-7-18(8-12-19)23(2,3)4/h5-15,25H,1-4H3,(H,26,27).
What are the key properties of 5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide?
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109242026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).