N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide

C23H32N6O2 — CID 126915800

IUPACN-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(CCn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C23H32N6O2/c30-22-8-7-21(19-9-11-24-12-10-19)26-29(22)18-15-27-13-16-28(17-14-27)23(31)25-20-5-3-1-2-4-6-20/h7-12,20H,1-6,13-18H2,(H,25,31)
InChIKeyDBUQJMWNRMLOCR-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.36
Rot. Bonds5

About N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide

N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 126915800) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID126915800
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC NameN-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(CCn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C23H32N6O2/c30-22-8-7-21(19-9-11-24-12-10-19)26-29(22)18-15-27-13-16-28(17-14-27)23(31)25-20-5-3-1-2-4-6-20/h7-12,20H,1-6,13-18H2,(H,25,31)
InChIKeyDBUQJMWNRMLOCR-UHFFFAOYSA-N
XLogP2.36
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidine-1-carboxamide
CID 126929617
2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915803
6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916000
6-pyridin-4-yl-2-[2-[4-(quinoline-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915775
2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915844
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915851
1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
CID 13412562
2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915902
2-[2-[4-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915784
3-[4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126915845
6-pyridin-4-yl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915969

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide (CID 126915800) is N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide is O=C(NC1CCCCCC1)N1CCN(CCn2nc(-c3ccncc3)ccc2=O)CC1.
What is the InChIKey of N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is DBUQJMWNRMLOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c30-22-8-7-21(19-9-11-24-12-10-19)26-29(22)18-15-27-13-16-28(17-14-27)23(31)25-20-5-3-1-2-4-6-20/h7-12,20H,1-6,13-18H2,(H,25,31).
What are the key properties of N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide?
N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 126915800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).