N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide

C22H22N4O — CID 121027928

IUPACN-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C22H22N4O/c27-22(20-13-14-21(25-24-20)26-15-7-2-8-16-26)23-19-12-6-5-11-18(19)17-9-3-1-4-10-17/h1,3-6,9-14H,2,7-8,15-16H2,(H,23,27)
InChIKeyVQLGYMKHBYJXIK-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.39
Rot. Bonds4

About N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide

N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027928) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID121027928
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC NameN-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C22H22N4O/c27-22(20-13-14-21(25-24-20)26-15-7-2-8-16-26)23-19-12-6-5-11-18(19)17-9-3-1-4-10-17/h1,3-6,9-14H,2,7-8,15-16H2,(H,23,27)
InChIKeyVQLGYMKHBYJXIK-UHFFFAOYSA-N
XLogP4.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91628590
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027765
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
N-(1H-benzimidazol-2-yl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027952
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide (CID 121027928) is N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is VQLGYMKHBYJXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(20-13-14-21(25-24-20)26-15-7-2-8-16-26)23-19-12-6-5-11-18(19)17-9-3-1-4-10-17/h1,3-6,9-14H,2,7-8,15-16H2,(H,23,27).
What are the key properties of N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).