4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C18H14Cl2N4O — CID 109213367

IUPAC4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(Nc2cc(Cl)ccc2Cl)ccn1
InChIInChI=1S/C18H14Cl2N4O/c19-13-1-2-15(20)16(9-13)24-14-5-8-22-17(10-14)18(25)23-11-12-3-6-21-7-4-12/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyDOYZZSDHCAPVQK-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds5

About 4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109213367) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109213367
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(Nc2cc(Cl)ccc2Cl)ccn1
InChIInChI=1S/C18H14Cl2N4O/c19-13-1-2-15(20)16(9-13)24-14-5-8-22-17(10-14)18(25)23-11-12-3-6-21-7-4-12/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyDOYZZSDHCAPVQK-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

4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213313
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283625
methyl 3-[[2-(benzylcarbamoyl)-4-pyridinyl]amino]-4-chlorobenzoate
CID 109209727
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213332
4-(2-cyanoanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213375
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212198
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213355
4-(2,5-dichloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109221676
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213382
4-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213080

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109213367) is 4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1cc(Nc2cc(Cl)ccc2Cl)ccn1.
What is the InChIKey of 4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is DOYZZSDHCAPVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-13-1-2-15(20)16(9-13)24-14-5-8-22-17(10-14)18(25)23-11-12-3-6-21-7-4-12/h1-10H,11H2,(H,22,24)(H,23,25).
What are the key properties of 4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-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 4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).