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

C19H19ClN4O3 — CID 10134777

IUPACN-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CCCO)ncc21
InChIInChI=1S/C19H19ClN4O3/c1-24-16-11-21-14(3-2-8-25)9-15(16)18(26)17(23-24)19(27)22-10-12-4-6-13(20)7-5-12/h4-7,9,11,25H,2-3,8,10H2,1H3,(H,22,27)
InChIKeyMWBNMQPQYWRTIM-UHFFFAOYSA-N
MW386.84 g/mol
LogP1.84
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide (PubChem CID 10134777) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide
PubChem CID10134777
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CCCO)ncc21
InChIInChI=1S/C19H19ClN4O3/c1-24-16-11-21-14(3-2-8-25)9-15(16)18(26)17(23-24)19(27)22-10-12-4-6-13(20)7-5-12/h4-7,9,11,25H,2-3,8,10H2,1H3,(H,22,27)
InChIKeyMWBNMQPQYWRTIM-UHFFFAOYSA-N
XLogP1.84
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
7-bromo-N-[(4-chlorophenyl)methyl]-1,6-dimethylindazole-3-carboxamide
CID 156526138
N-[(4-chlorophenyl)methyl]-8-[3-(4,5-dichloroimidazol-1-yl)propyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide
CID 10282278
N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide;N-[(4-chlorophenyl)methyl]-10-oxo-7-propyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 158438277
N-[(4-chlorophenyl)methyl]-2-(3-hydroxypropyl)-4-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide
CID 6482396
N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-2,10-dioxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 10159482
N-[(4-chlorophenyl)methyl]-2-(3-hydroxypropyl)-7-methyl-4-sulfanylidenethieno[2,3-b]pyridine-5-carboxamide
CID 10201418
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-[(4-chlorophenyl)methyl]-1-methyl-4-oxo-6-(thiomorpholin-4-ylmethyl)quinoline-3-carboxamide
CID 15516934
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
CID 107231717
2-benzyl-N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-methyl-10-oxo-1,3,4-triazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 10142601
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide (CID 10134777) is N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CCCO)ncc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide?
The InChIKey is MWBNMQPQYWRTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-24-16-11-21-14(3-2-8-25)9-15(16)18(26)17(23-24)19(27)22-10-12-4-6-13(20)7-5-12/h4-7,9,11,25H,2-3,8,10H2,1H3,(H,22,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(3-hydroxypropyl)-1-methyl-4-oxopyrido[3,4-c]pyridazine-3-carboxamide is sourced from PubChem (CID 10134777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).