N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

C23H30N4O — CID 30363619

IUPACN-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nn1
InChIInChI=1S/C23H30N4O/c1-17-7-5-6-10-20(17)21-11-12-22(26-25-21)27-15-13-18(14-16-27)23(28)24-19-8-3-2-4-9-19/h5-7,10-12,18-19H,2-4,8-9,13-16H2,1H3,(H,24,28)
InChIKeyASFPWJFFWDFTBH-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.12
Rot. Bonds4

About N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30363619) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30363619
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nn1
InChIInChI=1S/C23H30N4O/c1-17-7-5-6-10-20(17)21-11-12-22(26-25-21)27-15-13-18(14-16-27)23(28)24-19-8-3-2-4-9-19/h5-7,10-12,18-19H,2-4,8-9,13-16H2,1H3,(H,24,28)
InChIKeyASFPWJFFWDFTBH-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30363619) is N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is Cc1ccccc1-c1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nn1.
What is the InChIKey of N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is ASFPWJFFWDFTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-17-7-5-6-10-20(17)21-11-12-22(26-25-21)27-15-13-18(14-16-27)23(28)24-19-8-3-2-4-9-19/h5-7,10-12,18-19H,2-4,8-9,13-16H2,1H3,(H,24,28).
What are the key properties of N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide?
N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30363619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).