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

C21H21N3O2 — CID 109243240

IUPACN-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-5-4-6-20(15(14)2)24-21(25)16-11-18(13-22-12-16)23-17-7-9-19(26-3)10-8-17/h4-13,23H,1-3H3,(H,24,25)
InChIKeyDQSNSYPXVATDAB-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109243240) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
PubChem CID109243240
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-14-5-4-6-20(15(14)2)24-21(25)16-11-18(13-22-12-16)23-17-7-9-19(26-3)10-8-17/h4-13,23H,1-3H3,(H,24,25)
InChIKeyDQSNSYPXVATDAB-UHFFFAOYSA-N
XLogP4.70
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
N-(2,3-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239216
5-(2,6-dimethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243186
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109243291
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109243265
N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide
CID 109243288
5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109239400
N-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245369
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide (CID 109243240) is N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is DQSNSYPXVATDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-5-4-6-20(15(14)2)24-21(25)16-11-18(13-22-12-16)23-17-7-9-19(26-3)10-8-17/h4-13,23H,1-3H3,(H,24,25).
What are the key properties of N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide?
N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109243240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).