5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C18H14Cl2N4O — CID 109235330

IUPAC5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cncc(Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H14Cl2N4O/c19-14-3-4-16(20)17(7-14)24-15-6-13(10-22-11-15)18(25)23-9-12-2-1-5-21-8-12/h1-8,10-11,24H,9H2,(H,23,25)
InChIKeyARAJKPDKPRGCND-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds5

About 5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 109235330) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID109235330
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cncc(Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H14Cl2N4O/c19-14-3-4-16(20)17(7-14)24-15-6-13(10-22-11-15)18(25)23-9-12-2-1-5-21-8-12/h1-8,10-11,24H,9H2,(H,23,25)
InChIKeyARAJKPDKPRGCND-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(4-chloro-2-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106048
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106001
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
CID 109240111
5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235293
5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109224955
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106049
N-benzyl-2-(2,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109255356
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-benzyl-5-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109231717
4-N-(3-chloro-4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047685
N-cyclopentyl-5-(2,5-dichloroanilino)pyridine-3-carboxamide
CID 109226051

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 109235330) is 5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1cncc(Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ARAJKPDKPRGCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-3-4-16(20)17(7-14)24-15-6-13(10-22-11-15)18(25)23-9-12-2-1-5-21-8-12/h1-8,10-11,24H,9H2,(H,23,25).
What are the key properties of 5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).