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

C19H18N6O — CID 44589799

IUPACN-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(CC#N)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C19H18N6O/c1-12-9-13(2)25(24-12)19-22-17(11-18(23-19)21-14(3)26)16-6-4-5-15(10-16)7-8-20/h4-6,9-11H,7H2,1-3H3,(H,21,22,23,26)
InChIKeyAWHOPARFCRBVBE-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.97
Rot. Bonds4

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

N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 44589799) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
PubChem CID44589799
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(CC#N)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C19H18N6O/c1-12-9-13(2)25(24-12)19-22-17(11-18(23-19)21-14(3)26)16-6-4-5-15(10-16)7-8-20/h4-6,9-11H,7H2,1-3H3,(H,21,22,23,26)
InChIKeyAWHOPARFCRBVBE-UHFFFAOYSA-N
XLogP2.97
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138086
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)propionamide
CID 11438116
N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
CID 11658882
N-[6-(6-aminopyridin-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25069603
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-phenylpyrimidin-4-yl]acetamide
CID 25138072
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
N-(tert-butyl)-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1207992
N-(5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
CID 1874058
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-(4-methylphenyl)pyrazol-3-amine
CID 2408834

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (CID 44589799) is N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(CC#N)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is AWHOPARFCRBVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-9-13(2)25(24-12)19-22-17(11-18(23-19)21-14(3)26)16-6-4-5-15(10-16)7-8-20/h4-6,9-11H,7H2,1-3H3,(H,21,22,23,26).
What are the key properties of N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(cyanomethyl)phenyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44589799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).