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

C23H25N5O — CID 30365483

IUPACN-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)c(C)c1
InChIInChI=1S/C23H25N5O/c1-16-5-6-20(17(2)14-16)25-23(29)18-9-12-28(13-10-18)22-8-7-21(26-27-22)19-4-3-11-24-15-19/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,25,29)
InChIKeyKVINGADKUNDHRO-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.01
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30365483) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30365483
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)c(C)c1
InChIInChI=1S/C23H25N5O/c1-16-5-6-20(17(2)14-16)25-23(29)18-9-12-28(13-10-18)22-8-7-21(26-27-22)19-4-3-11-24-15-19/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,25,29)
InChIKeyKVINGADKUNDHRO-UHFFFAOYSA-N
XLogP4.01
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365604
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
N-(2-methylphenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30364975
1-(6-phenylpyridazin-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 30360856
N-[4-(dimethylamino)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365512
N-(3,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365350
methyl 4-[[1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate
CID 30365220
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365521
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 30362072
N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365439
N-[(1S)-1-phenylethyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30867017
N-(2,4-dimethoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025293

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30365483) is N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is KVINGADKUNDHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-5-6-20(17(2)14-16)25-23(29)18-9-12-28(13-10-18)22-8-7-21(26-27-22)19-4-3-11-24-15-19/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,25,29).
What are the key properties of N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30365483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).