N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide

C16H24N4O2 — CID 122277953

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCn2nc(C3CC3)ccc2=O)C1
InChIInChI=1S/C16H24N4O2/c1-19-9-2-3-13(11-19)16(22)17-8-10-20-15(21)7-6-14(18-20)12-4-5-12/h6-7,12-13H,2-5,8-11H2,1H3,(H,17,22)
InChIKeyPCTBPPZIJAOAAI-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.58
Rot. Bonds5

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

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide (PubChem CID 122277953) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide
PubChem CID122277953
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCn2nc(C3CC3)ccc2=O)C1
InChIInChI=1S/C16H24N4O2/c1-19-9-2-3-13(11-19)16(22)17-8-10-20-15(21)7-6-14(18-20)12-4-5-12/h6-7,12-13H,2-5,8-11H2,1H3,(H,17,22)
InChIKeyPCTBPPZIJAOAAI-UHFFFAOYSA-N
XLogP0.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide
CID 121034408
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277955
4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 122277960
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
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
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
1-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylurea
CID 122246350
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071326
1-(2-chlorophenyl)-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278171
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 122277924

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide (CID 122277953) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)NCCn2nc(C3CC3)ccc2=O)C1.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is PCTBPPZIJAOAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-9-2-3-13(11-19)16(22)17-8-10-20-15(21)7-6-14(18-20)12-4-5-12/h6-7,12-13H,2-5,8-11H2,1H3,(H,17,22).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 122277953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).