N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide

C21H21N3O — CID 109242107

IUPACN-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1
InChIInChI=1S/C21H21N3O/c1-14-7-9-18(10-8-14)23-19-11-17(12-22-13-19)21(25)24-20-6-4-5-15(2)16(20)3/h4-13,23H,1-3H3,(H,24,25)
InChIKeyRLJPPBCUBOVMIG-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.00
Rot. Bonds4

About N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide

N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide (PubChem CID 109242107) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
PubChem CID109242107
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1
InChIInChI=1S/C21H21N3O/c1-14-7-9-18(10-8-14)23-19-11-17(12-22-13-19)21(25)24-20-6-4-5-15(2)16(20)3/h4-13,23H,1-3H3,(H,24,25)
InChIKeyRLJPPBCUBOVMIG-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-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109243240
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 7161193
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109243265
5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109239400
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
N-(3,4-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242104
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109243291
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide (CID 109242107) is N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
The InChIKey is RLJPPBCUBOVMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-7-9-18(10-8-14)23-19-11-17(12-22-13-19)21(25)24-20-6-4-5-15(2)16(20)3/h4-13,23H,1-3H3,(H,24,25).
What are the key properties of N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide?
N-(2,3-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-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109242107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).