2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide

C19H15Cl2N3O2 — CID 109178053

IUPAC2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-15-5-2-13(3-6-15)24-19(25)12-8-9-22-18(10-12)23-14-4-7-16(20)17(21)11-14/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyOJJVLLAFABACFH-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.39
Rot. Bonds5

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

2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 109178053) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID109178053
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-15-5-2-13(3-6-15)24-19(25)12-8-9-22-18(10-12)23-14-4-7-16(20)17(21)11-14/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyOJJVLLAFABACFH-UHFFFAOYSA-N
XLogP5.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178041
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
2-(3-ethylanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283332
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283333
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329
5-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293597
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109178168

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide (CID 109178053) is 2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is OJJVLLAFABACFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-26-15-5-2-13(3-6-15)24-19(25)12-8-9-22-18(10-12)23-14-4-7-16(20)17(21)11-14/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide?
2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 388.25 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109178053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).