N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H22N4O2 — CID 115600332

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN1CCC(CCNC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C13H22N4O2/c1-17-8-5-10(6-9-17)4-7-14-13(19)11-2-3-12(18)16-15-11/h10H,2-9H2,1H3,(H,14,19)(H,16,18)
InChIKeyIXVCAAUVZBESND-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.10
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 115600332) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID115600332
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN1CCC(CCNC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C13H22N4O2/c1-17-8-5-10(6-9-17)4-7-14-13(19)11-2-3-12(18)16-15-11/h10H,2-9H2,1H3,(H,14,19)(H,16,18)
InChIKeyIXVCAAUVZBESND-UHFFFAOYSA-N
XLogP0.10
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51097119
1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31012301
1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide
CID 45799871
1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)-4,5-dihydropyridazine-3-carboxamide
CID 47014806
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 132228199
3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 65532419
N-(4-methylcyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4881394
N-[1-(cyclohexylmethyl)-3-piperidinyl]-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide
CID 45186564
N-isopropyl-1'-[(6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 56742115
3-(piperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 39254780
3-(4-methylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397812
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 146193165

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 115600332) is N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CN1CCC(CCNC(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is IXVCAAUVZBESND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-17-8-5-10(6-9-17)4-7-14-13(19)11-2-3-12(18)16-15-11/h10H,2-9H2,1H3,(H,14,19)(H,16,18).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 115600332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).