N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

C22H23N5O — CID 30364975

IUPACN-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C22H23N5O/c1-16-4-2-3-5-19(16)24-22(28)18-10-14-27(15-11-18)21-7-6-20(25-26-21)17-8-12-23-13-9-17/h2-9,12-13,18H,10-11,14-15H2,1H3,(H,24,28)
InChIKeyBQTPIHYDSMICRB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.70
Rot. Bonds4

About N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide

N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30364975) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30364975
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C22H23N5O/c1-16-4-2-3-5-19(16)24-22(28)18-10-14-27(15-11-18)21-7-6-20(25-26-21)17-8-12-23-13-9-17/h2-9,12-13,18H,10-11,14-15H2,1H3,(H,24,28)
InChIKeyBQTPIHYDSMICRB-UHFFFAOYSA-N
XLogP3.70
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365483
N-(1-phenylethyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071643
N-(1,3-benzothiazol-2-yl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364899
N-(4-carbamoylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364662
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856
N-cyclopentyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364801
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 30362072
N-(2,3-dimethylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947220
methyl 2-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]benzoate
CID 30363740
N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365604
1-(6-pyridin-4-ylpyridazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 30364763
1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991572

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30364975) is N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccncc3)nn2)CC1.
What is the InChIKey of N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is BQTPIHYDSMICRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-4-2-3-5-19(16)24-22(28)18-10-14-27(15-11-18)21-7-6-20(25-26-21)17-8-12-23-13-9-17/h2-9,12-13,18H,10-11,14-15H2,1H3,(H,24,28).
What are the key properties of N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30364975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).