N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide

C20H18ClN5O2 — CID 91894617

IUPACN-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2nn(Cc3cccnc3)c(=O)cc2C1
InChIInChI=1S/C20H18ClN5O2/c21-16-4-1-5-17(10-16)23-20(28)25-8-6-18-15(13-25)9-19(27)26(24-18)12-14-3-2-7-22-11-14/h1-5,7,9-11H,6,8,12-13H2,(H,23,28)
InChIKeyCHKVUKRKROCYBG-UHFFFAOYSA-N
MW395.85 g/mol
LogP2.93
Rot. Bonds3

About N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide

N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide (PubChem CID 91894617) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
PubChem CID91894617
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC NameN-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2nn(Cc3cccnc3)c(=O)cc2C1
InChIInChI=1S/C20H18ClN5O2/c21-16-4-1-5-17(10-16)23-20(28)25-8-6-18-15(13-25)9-19(27)26(24-18)12-14-3-2-7-22-11-14/h1-5,7,9-11H,6,8,12-13H2,(H,23,28)
InChIKeyCHKVUKRKROCYBG-UHFFFAOYSA-N
XLogP2.93
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide (CID 91894617) is N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCc2nn(Cc3cccnc3)c(=O)cc2C1.
What is the InChIKey of N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
The InChIKey is CHKVUKRKROCYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c21-16-4-1-5-17(10-16)23-20(28)25-8-6-18-15(13-25)9-19(27)26(24-18)12-14-3-2-7-22-11-14/h1-5,7,9-11H,6,8,12-13H2,(H,23,28).
What are the key properties of N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?
N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-oxo-2-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 91894617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).