N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide

C18H26N6O2 — CID 50984287

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCC(Oc3ncccn3)CC2)c1C
InChIInChI=1S/C18H26N6O2/c1-4-24-14(3)17(13(2)22-24)21-16(25)12-23-10-6-15(7-11-23)26-18-19-8-5-9-20-18/h5,8-9,15H,4,6-7,10-12H2,1-3H3,(H,21,25)
InChIKeySHAJGRMYWLYJBR-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.79
Rot. Bonds6

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide (PubChem CID 50984287) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide
PubChem CID50984287
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)CN2CCC(Oc3ncccn3)CC2)c1C
InChIInChI=1S/C18H26N6O2/c1-4-24-14(3)17(13(2)22-24)21-16(25)12-23-10-6-15(7-11-23)26-18-19-8-5-9-20-18/h5,8-9,15H,4,6-7,10-12H2,1-3H3,(H,21,25)
InChIKeySHAJGRMYWLYJBR-UHFFFAOYSA-N
XLogP1.79
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]-7,8-dihydro-5H-pteridin-6-one
CID 52104144
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-7,8-dihydro-5H-pteridin-6-one
CID 52105320
2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53569004
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
N-(1-ethyl-1H-pyrazol-4-yl)-6-methyl-2-(morpholin-4-yl)pyrimidine-4-carboxamide
CID 56731242
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 71932928
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72044267
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72142623
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(2-pyrimidinyl)-3-piperidinyl]acetamide
CID 56915257
2-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-{4-[(dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}acetamide
CID 91911066
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
CID 38699385
6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(2-oxo-2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)pyridazin-3(2H)-one
CID 56724621

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide (CID 50984287) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide is CCn1nc(C)c(NC(=O)CN2CCC(Oc3ncccn3)CC2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide?
The InChIKey is SHAJGRMYWLYJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-4-24-14(3)17(13(2)22-24)21-16(25)12-23-10-6-15(7-11-23)26-18-19-8-5-9-20-18/h5,8-9,15H,4,6-7,10-12H2,1-3H3,(H,21,25).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide has a molecular weight of 358.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)acetamide is sourced from PubChem (CID 50984287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).