N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

C20H29ClN4O2 — CID 20968222

IUPACN-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCCCCN(C)CCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C20H29ClN4O2/c1-3-4-13-24(2)14-5-12-22-19(26)15-25-20(27)11-10-18(23-25)16-6-8-17(21)9-7-16/h6-9H,3-5,10-15H2,1-2H3,(H,22,26)
InChIKeyJBTFTXZXVBRTHF-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.90
Rot. Bonds10

About N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (PubChem CID 20968222) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
PubChem CID20968222
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC NameN-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCCCCN(C)CCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O
InChIInChI=1S/C20H29ClN4O2/c1-3-4-13-24(2)14-5-12-22-19(26)15-25-20(27)11-10-18(23-25)16-6-8-17(21)9-7-16/h6-9H,3-5,10-15H2,1-2H3,(H,22,26)
InChIKeyJBTFTXZXVBRTHF-UHFFFAOYSA-N
XLogP2.90
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 4422323
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CID 5904279
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 6375481
N-butyl-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 15992445
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
N-[3-(azepan-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 3240872
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
N-(4-chlorobenzyl)-3-[(phenylacetyl)hydrazono]butanamide
CID 5815208
4-chloro-N-{2-oxo-2-[(2E)-2-(1-phenylbutylidene)hydrazino]ethyl}benzamide
CID 9599141
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 16000055
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 16034248
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[3-(diisobutylamino)propyl]acetamide
CID 16034255

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The IUPAC name of N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (CID 20968222) is N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.
What is the SMILES notation for N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The canonical SMILES for N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is CCCCN(C)CCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O.
What is the InChIKey of N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The InChIKey is JBTFTXZXVBRTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-3-4-13-24(2)14-5-12-22-19(26)15-25-20(27)11-10-18(23-25)16-6-8-17(21)9-7-16/h6-9H,3-5,10-15H2,1-2H3,(H,22,26).
What are the key properties of N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide has a molecular weight of 392.93 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is sourced from PubChem (CID 20968222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).