6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

C19H22N4O3 — CID 126865168

IUPAC6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C19H22N4O3/c24-17-6-5-16(14-3-4-14)21-23(17)12-13-7-10-22(11-8-13)19(26)15-2-1-9-20-18(15)25/h1-2,5-6,9,13-14H,3-4,7-8,10-12H2,(H,20,25)
InChIKeyFTXZYTITUKAKHQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.36
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865168) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865168
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C19H22N4O3/c24-17-6-5-16(14-3-4-14)21-23(17)12-13-7-10-22(11-8-13)19(26)15-2-1-9-20-18(15)25/h1-2,5-6,9,13-14H,3-4,7-8,10-12H2,(H,20,25)
InChIKeyFTXZYTITUKAKHQ-UHFFFAOYSA-N
XLogP1.36
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865122
2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865130
6-cyclopropyl-2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865169
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458
2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
CID 126852409
3-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 115775390
6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865159
6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865162
3-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
6-cyclopropyl-2-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865258
2-[[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865313
3-[3-[(3,5-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 166615901

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126865168) is 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is O=C(c1ccc[nH]c1=O)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is FTXZYTITUKAKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-17-6-5-16(14-3-4-14)21-23(17)12-13-7-10-22(11-8-13)19(26)15-2-1-9-20-18(15)25/h1-2,5-6,9,13-14H,3-4,7-8,10-12H2,(H,20,25).
What are the key properties of 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 354.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).