5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C18H14Cl2N4O — CID 109235617

IUPAC5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cncc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H14Cl2N4O/c19-14-6-15(20)8-16(7-14)24-17-5-13(10-22-11-17)18(25)23-9-12-1-3-21-4-2-12/h1-8,10-11,24H,9H2,(H,23,25)
InChIKeyCKXHRDVHDKMGNN-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds5

About 5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109235617) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109235617
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cncc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C18H14Cl2N4O/c19-14-6-15(20)8-16(7-14)24-17-5-13(10-22-11-17)18(25)23-9-12-1-3-21-4-2-12/h1-8,10-11,24H,9H2,(H,23,25)
InChIKeyCKXHRDVHDKMGNN-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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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109235617) is 5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccncc1)c1cncc(Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CKXHRDVHDKMGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-6-15(20)8-16(7-14)24-17-5-13(10-22-11-17)18(25)23-9-12-1-3-21-4-2-12/h1-8,10-11,24H,9H2,(H,23,25).
What are the key properties of 5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-(3,5-dichloroanilino)-N-(pyridin-4-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-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).