N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide

C19H22N8O2 — CID 91967334

IUPACN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide
SMILESO=C(COc1ccc(-n2cccn2)nn1)NCc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C19H22N8O2/c28-17(14-29-18-6-5-16(24-25-18)27-12-4-8-22-27)21-13-15-7-9-20-19(23-15)26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,13-14H2,(H,21,28)
InChIKeyBOGYWIRHFWKENT-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.14
Rot. Bonds7

About N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide

N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide (PubChem CID 91967334) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide
PubChem CID91967334
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide
SMILESO=C(COc1ccc(-n2cccn2)nn1)NCc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C19H22N8O2/c28-17(14-29-18-6-5-16(24-25-18)27-12-4-8-22-27)21-13-15-7-9-20-19(23-15)26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,13-14H2,(H,21,28)
InChIKeyBOGYWIRHFWKENT-UHFFFAOYSA-N
XLogP1.14
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353098
2-methyl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide
CID 91967333
2-methyl-6-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidine-4-carboxamide
CID 121137226
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 26350107
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353151
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122353295
2-(4-oxoquinazolin-3-yl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353191
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide?
The IUPAC name of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide (CID 91967334) is N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide?
The canonical SMILES for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide is O=C(COc1ccc(-n2cccn2)nn1)NCc1ccnc(N2CCCCC2)n1.
What is the InChIKey of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide?
The InChIKey is BOGYWIRHFWKENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c28-17(14-29-18-6-5-16(24-25-18)27-12-4-8-22-27)21-13-15-7-9-20-19(23-15)26-10-2-1-3-11-26/h4-9,12H,1-3,10-11,13-14H2,(H,21,28).
What are the key properties of N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide?
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide has a molecular weight of 394.44 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide is sourced from PubChem (CID 91967334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).