N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide

C20H26N4O — CID 109112547

IUPACN-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C20H26N4O/c1-14(2)16-9-7-8-15(3)19(16)21-20(25)17-10-11-18(23-22-17)24-12-5-4-6-13-24/h7-11,14H,4-6,12-13H2,1-3H3,(H,21,25)
InChIKeyIUWQVDWMCSIZDQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.15
Rot. Bonds4

About N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 109112547) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID109112547
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C20H26N4O/c1-14(2)16-9-7-8-15(3)19(16)21-20(25)17-10-11-18(23-22-17)24-12-5-4-6-13-24/h7-11,14H,4-6,12-13H2,1-3H3,(H,21,25)
InChIKeyIUWQVDWMCSIZDQ-UHFFFAOYSA-N
XLogP4.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109116550
6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109126367
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116545
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027957
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109364180
N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120568178
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide (CID 109112547) is N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is IUWQVDWMCSIZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)16-9-7-8-15(3)19(16)21-20(25)17-10-11-18(23-22-17)24-12-5-4-6-13-24/h7-11,14H,4-6,12-13H2,1-3H3,(H,21,25).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109112547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).