6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

C22H24N6O2 — CID 11373089

IUPAC6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1
InChIInChI=1S/C22H24N6O2/c23-15-17-3-1-2-4-18(17)22(30)28-13-11-27(12-14-28)20-8-7-19(25-26-20)21(29)24-10-9-16-5-6-16/h1-4,7-8,16H,5-6,9-14H2,(H,24,29)
InChIKeyPCDOGMVCJDRQNC-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.84
Rot. Bonds6

About 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (PubChem CID 11373089) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
PubChem CID11373089
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1
InChIInChI=1S/C22H24N6O2/c23-15-17-3-1-2-4-18(17)22(30)28-13-11-27(12-14-28)20-8-7-19(25-26-20)21(29)24-10-9-16-5-6-16/h1-4,7-8,16H,5-6,9-14H2,(H,24,29)
InChIKeyPCDOGMVCJDRQNC-UHFFFAOYSA-N
XLogP1.84
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide (CID 11373089) is 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is N#Cc1ccccc1C(=O)N1CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1.
What is the InChIKey of 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
The InChIKey is PCDOGMVCJDRQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c23-15-17-3-1-2-4-18(17)22(30)28-13-11-27(12-14-28)20-8-7-19(25-26-20)21(29)24-10-9-16-5-6-16/h1-4,7-8,16H,5-6,9-14H2,(H,24,29).
What are the key properties of 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide?
6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyanobenzoyl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 11373089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).