1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide

C20H27ClN4O2 — CID 18160800

IUPAC1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCN(C(C)C)C(C)C)nn1-c1ccccc1Cl
InChIInChI=1S/C20H27ClN4O2/c1-13(2)24(14(3)4)11-10-22-20(27)19-18(26)12-15(5)25(23-19)17-9-7-6-8-16(17)21/h6-9,12-14H,10-11H2,1-5H3,(H,22,27)
InChIKeyPFVNCDSNDCZNBH-UHFFFAOYSA-N
MW390.92 g/mol
LogP3.04
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide

1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 18160800) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID18160800
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC Name1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCN(C(C)C)C(C)C)nn1-c1ccccc1Cl
InChIInChI=1S/C20H27ClN4O2/c1-13(2)24(14(3)4)11-10-22-20(27)19-18(26)12-15(5)25(23-19)17-9-7-6-8-16(17)21/h6-9,12-14H,10-11H2,1-5H3,(H,22,27)
InChIKeyPFVNCDSNDCZNBH-UHFFFAOYSA-N
XLogP3.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-6-methyl-N-[2-(4-methylphenoxy)ethyl]-4-oxopyridazine-3-carboxamide
CID 9088728
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1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 7603195
1-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 24503215
1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
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1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 9082115
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9266857
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 18117326
1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561745
1-(2-chlorophenyl)-6-methyl-N-(4-methylpiperazin-1-yl)-4-oxopyridazine-3-carboxamide
CID 9075107
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide (CID 18160800) is 1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCN(C(C)C)C(C)C)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is PFVNCDSNDCZNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2/c1-13(2)24(14(3)4)11-10-22-20(27)19-18(26)12-15(5)25(23-19)17-9-7-6-8-16(17)21/h6-9,12-14H,10-11H2,1-5H3,(H,22,27).
What are the key properties of 1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 390.92 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18160800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).