N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide

C17H26N4O — CID 175302355

IUPACN-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1cc(N2CCCCC2)nnc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H26N4O/c1-13-12-15(21-10-6-3-7-11-21)19-20-16(13)17(22)18-14-8-4-2-5-9-14/h12,14H,2-11H2,1H3,(H,18,22)
InChIKeyBVUYTMLXQHZMFT-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.84
Rot. Bonds3

About N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide

N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 175302355) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID175302355
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1cc(N2CCCCC2)nnc1C(=O)NC1CCCCC1
InChIInChI=1S/C17H26N4O/c1-13-12-15(21-10-6-3-7-11-21)19-20-16(13)17(22)18-14-8-4-2-5-9-14/h12,14H,2-11H2,1H3,(H,18,22)
InChIKeyBVUYTMLXQHZMFT-UHFFFAOYSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide (CID 175302355) is N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide is Cc1cc(N2CCCCC2)nnc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is BVUYTMLXQHZMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-12-15(21-10-6-3-7-11-21)19-20-16(13)17(22)18-14-8-4-2-5-9-14/h12,14H,2-11H2,1H3,(H,18,22).
What are the key properties of N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide?
N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 175302355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).