5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

C21H21N3O2 — CID 109242737

IUPAC5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(Nc3ccc(C)cc3C)c2)c1
InChIInChI=1S/C21H21N3O2/c1-14-7-8-20(15(2)9-14)23-18-10-16(12-22-13-18)21(25)24-17-5-4-6-19(11-17)26-3/h4-13,23H,1-3H3,(H,24,25)
InChIKeyBBGUSEDGCCGBLE-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.70
Rot. Bonds5

About 5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109242737) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109242737
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(Nc3ccc(C)cc3C)c2)c1
InChIInChI=1S/C21H21N3O2/c1-14-7-8-20(15(2)9-14)23-18-10-16(12-22-13-18)21(25)24-17-5-4-6-19(11-17)26-3/h4-13,23H,1-3H3,(H,24,25)
InChIKeyBBGUSEDGCCGBLE-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

5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242751
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109266400
N-(2,4-dimethylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236799
N-(3-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109245541
5-(2,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245660
N-(2,4-difluorophenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242767
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242696

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 109242737) is 5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cncc(Nc3ccc(C)cc3C)c2)c1.
What is the InChIKey of 5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is BBGUSEDGCCGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-7-8-20(15(2)9-14)23-18-10-16(12-22-13-18)21(25)24-17-5-4-6-19(11-17)26-3/h4-13,23H,1-3H3,(H,24,25).
What are the key properties of 5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)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 5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109242737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).