N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide

C23H28N6O2 — CID 44589945

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(OC3CCCN(C)C3)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C23H28N6O2/c1-15-11-16(2)29(27-15)23-25-21(13-22(26-23)24-17(3)30)18-7-5-8-19(12-18)31-20-9-6-10-28(4)14-20/h5,7-8,11-13,20H,6,9-10,14H2,1-4H3,(H,24,25,26,30)
InChIKeyUUVIEOWDBDXRFC-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide (PubChem CID 44589945) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide
PubChem CID44589945
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(OC3CCCN(C)C3)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C23H28N6O2/c1-15-11-16(2)29(27-15)23-25-21(13-22(26-23)24-17(3)30)18-7-5-8-19(12-18)31-20-9-6-10-28(4)14-20/h5,7-8,11-13,20H,6,9-10,14H2,1-4H3,(H,24,25,26,30)
InChIKeyUUVIEOWDBDXRFC-UHFFFAOYSA-N
XLogP3.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138075
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138076
N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25138077
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)phenoxy)acetamide
CID 16654984
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((ethyl(methyl)amino)methyl)phenoxy)acetamide
CID 24739646
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-(2-(dimethylamino)ethyl)phenoxy)acetamide
CID 24739648
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138078
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25138080
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 25138081
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]propanamide
CID 25138082
methyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate
CID 25138083
ethyl N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]carbamate
CID 25138084

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide (CID 44589945) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(OC3CCCN(C)C3)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
The InChIKey is UUVIEOWDBDXRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-11-16(2)29(27-15)23-25-21(13-22(26-23)24-17(3)30)18-7-5-8-19(12-18)31-20-9-6-10-28(4)14-20/h5,7-8,11-13,20H,6,9-10,14H2,1-4H3,(H,24,25,26,30).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide has a molecular weight of 420.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[3-(1-methylpiperidin-3-yl)oxyphenyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44589945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).