N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide

C21H21N3O — CID 109242104

IUPACN-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-14-4-7-18(8-5-14)23-20-11-17(12-22-13-20)21(25)24-19-9-6-15(2)16(3)10-19/h4-13,23H,1-3H3,(H,24,25)
InChIKeyXJAOUYOLVRZLEK-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.00
Rot. Bonds4

About N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide

N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109242104) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109242104
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-14-4-7-18(8-5-14)23-20-11-17(12-22-13-20)21(25)24-19-9-6-15(2)16(3)10-19/h4-13,23H,1-3H3,(H,24,25)
InChIKeyXJAOUYOLVRZLEK-UHFFFAOYSA-N
XLogP5.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
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-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026
methyl 3-[[5-[(3,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242927
N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109242960
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-(2-fluoroanilino)pyridine-3-carboxamide
CID 109242899
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide (CID 109242104) is N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2cncc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is XJAOUYOLVRZLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-4-7-18(8-5-14)23-20-11-17(12-22-13-20)21(25)24-19-9-6-15(2)16(3)10-19/h4-13,23H,1-3H3,(H,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).