3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide

C18H20N6O2 — CID 135885902

IUPAC3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccncc3)c2C)n1
InChIInChI=1S/C18H20N6O2/c1-11-10-17(26)22-18(20-11)24-13(3)15(12(2)23-24)4-5-16(25)21-14-6-8-19-9-7-14/h6-10H,4-5H2,1-3H3,(H,19,21,25)(H,20,22,26)
InChIKeyRGMOTRJZMFQMOR-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.85
Rot. Bonds5

About 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide

3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide (PubChem CID 135885902) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide
PubChem CID135885902
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccncc3)c2C)n1
InChIInChI=1S/C18H20N6O2/c1-11-10-17(26)22-18(20-11)24-13(3)15(12(2)23-24)4-5-16(25)21-14-6-8-19-9-7-14/h6-10H,4-5H2,1-3H3,(H,19,21,25)(H,20,22,26)
InChIKeyRGMOTRJZMFQMOR-UHFFFAOYSA-N
XLogP1.85
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 15945723
Pyridine-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11405070
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]-N-(2-fluorophenyl)propanamide
CID 135885893
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]propanamide
CID 135885898
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl]-N-(6-methylpyridin-2-yl)propanamide
CID 135885904
[4-(3,5-dimethylpyrazolyl)phenyl]-N-(2-pyridyl)carboxamide
CID 663966
5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3240933
3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 3241346
4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-N-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 3296619
2-methyl-4-(1-methyl-1H-pyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CID 4119841

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide (CID 135885902) is 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)Nc3ccncc3)c2C)n1.
What is the InChIKey of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is RGMOTRJZMFQMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-10-17(26)22-18(20-11)24-13(3)15(12(2)23-24)4-5-16(25)21-14-6-8-19-9-7-14/h6-10H,4-5H2,1-3H3,(H,19,21,25)(H,20,22,26).
What are the key properties of 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide?
3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide has a molecular weight of 352.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 135885902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).