4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide

C20H20N6O — CID 70877831

IUPAC4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H20N6O/c27-20(24-18-7-4-11-22-25-18)26-13-9-15(10-14-26)17-8-12-21-19(23-17)16-5-2-1-3-6-16/h1-8,11-12,15H,9-10,13-14H2,(H,24,25,27)
InChIKeyZBOONFXKCLCSOY-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.35
Rot. Bonds3

About 4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide

4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide (PubChem CID 70877831) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide
PubChem CID70877831
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccnn1)N1CCC(c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C20H20N6O/c27-20(24-18-7-4-11-22-25-18)26-13-9-15(10-14-26)17-8-12-21-19(23-17)16-5-2-1-3-6-16/h1-8,11-12,15H,9-10,13-14H2,(H,24,25,27)
InChIKeyZBOONFXKCLCSOY-UHFFFAOYSA-N
XLogP3.35
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-phenylpyrimidin-2-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 46233705
4-[2-(2,3-difluorophenyl)pyrimidin-4-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 70877834
2-[1-(pyridazin-3-ylcarbamoyl)piperidin-4-yl]benzoic acid
CID 154746480
4-(4-phenyl-1,3-thiazol-2-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 68779561
4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 127047499
4-[4-(3,4-difluorophenyl)-1,3,5-triazin-2-yl]-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 46935928
4-(4-cyclopentylpyrimidin-2-yl)benzoic acid
CID 116900125
2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 42162525
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46987816
3-methyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093486
2-ethyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093484
9-methyl-N-pyridazin-3-yl-6-azaspiro[3.5]nonane-6-carboxamide
CID 138998106

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide (CID 70877831) is 4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide is O=C(Nc1cccnn1)N1CCC(c2ccnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide?
The InChIKey is ZBOONFXKCLCSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(24-18-7-4-11-22-25-18)26-13-9-15(10-14-26)17-8-12-21-19(23-17)16-5-2-1-3-6-16/h1-8,11-12,15H,9-10,13-14H2,(H,24,25,27).
What are the key properties of 4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide?
4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpyrimidin-4-yl)-N-pyridazin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 70877831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).