4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide

C20H31N3O2 — CID 122277960

IUPAC4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C20H31N3O2/c1-2-3-4-15-5-7-17(8-6-15)20(25)21-13-14-23-19(24)12-11-18(22-23)16-9-10-16/h11-12,15-17H,2-10,13-14H2,1H3,(H,21,25)
InChIKeyAGSJCPPYHKFPRN-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.23
Rot. Bonds8

About 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide

4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 122277960) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID122277960
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C20H31N3O2/c1-2-3-4-15-5-7-17(8-6-15)20(25)21-13-14-23-19(24)12-11-18(22-23)16-9-10-16/h11-12,15-17H,2-10,13-14H2,1H3,(H,21,25)
InChIKeyAGSJCPPYHKFPRN-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide
CID 122277953
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
CID 122278444
4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide
CID 90614850
1-cyclopentyl-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278186
methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
CID 122277941
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]ethanesulfonamide
CID 122278193
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-(2-phenylethyl)urea
CID 122278182
1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278171

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide (CID 122277960) is 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCCn2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is AGSJCPPYHKFPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-3-4-15-5-7-17(8-6-15)20(25)21-13-14-23-19(24)12-11-18(22-23)16-9-10-16/h11-12,15-17H,2-10,13-14H2,1H3,(H,21,25).
What are the key properties of 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide?
4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 122277960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).