N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide

C18H19ClN4O3 — CID 70024851

IUPACN-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1n[nH]c2c(c1=O)CN(CCCO)C=C2
InChIInChI=1S/C18H19ClN4O3/c19-13-4-2-12(3-5-13)10-20-18(26)16-17(25)14-11-23(7-1-9-24)8-6-15(14)21-22-16/h2-6,8,24H,1,7,9-11H2,(H,20,26)(H,21,25)
InChIKeyINFOVXMTOOVJKL-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.52
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide (PubChem CID 70024851) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide
PubChem CID70024851
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1n[nH]c2c(c1=O)CN(CCCO)C=C2
InChIInChI=1S/C18H19ClN4O3/c19-13-4-2-12(3-5-13)10-20-18(26)16-17(25)14-11-23(7-1-9-24)8-6-15(14)21-22-16/h2-6,8,24H,1,7,9-11H2,(H,20,26)(H,21,25)
InChIKeyINFOVXMTOOVJKL-UHFFFAOYSA-N
XLogP1.52
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide (CID 70024851) is N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1n[nH]c2c(c1=O)CN(CCCO)C=C2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide?
The InChIKey is INFOVXMTOOVJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-13-4-2-12(3-5-13)10-20-18(26)16-17(25)14-11-23(7-1-9-24)8-6-15(14)21-22-16/h2-6,8,24H,1,7,9-11H2,(H,20,26)(H,21,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-4-oxo-1,5-dihydropyrido[4,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 70024851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).