N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine

C19H14ClN5 — CID 6419382

IUPACN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
SMILESClc1ccc(Nc2nnc(Cc3ccncc3)c3cnccc23)cc1
InChIInChI=1S/C19H14ClN5/c20-14-1-3-15(4-2-14)23-19-16-7-10-22-12-17(16)18(24-25-19)11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H,23,25)
InChIKeyDJUQYZCHZIOROJ-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.41
Rot. Bonds4

About N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine

N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine (PubChem CID 6419382) has the molecular formula C19H14ClN5 and a molecular weight of 347.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
PubChem CID6419382
Molecular FormulaC19H14ClN5
Molecular Weight347.81 g/mol
Exact Mass347.09
IUPAC NameN-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
SMILESClc1ccc(Nc2nnc(Cc3ccncc3)c3cnccc23)cc1
InChIInChI=1S/C19H14ClN5/c20-14-1-3-15(4-2-14)23-19-16-7-10-22-12-17(16)18(24-25-19)11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H,23,25)
InChIKeyDJUQYZCHZIOROJ-UHFFFAOYSA-N
XLogP4.41
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine (CID 6419382) is N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine is Clc1ccc(Nc2nnc(Cc3ccncc3)c3cnccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine?
The InChIKey is DJUQYZCHZIOROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5/c20-14-1-3-15(4-2-14)23-19-16-7-10-22-12-17(16)18(24-25-19)11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine?
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 347.81 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 6419382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).