N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide

C15H16N6O3 — CID 66495122

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nn1c(C)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2cc1=O
InChIInChI=1S/C15H16N6O3/c1-7-5-8(2)17-15(16-7)21-14(24)13-9(3)20(18-10(4)22)12(23)6-11(13)19-21/h5-6,19H,1-4H3,(H,18,22)
InChIKeyLNMYJCGHXZVDMS-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.29
Rot. Bonds2

About N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide (PubChem CID 66495122) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide
PubChem CID66495122
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide
SMILESCC(=O)Nn1c(C)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2cc1=O
InChIInChI=1S/C15H16N6O3/c1-7-5-8(2)17-15(16-7)21-14(24)13-9(3)20(18-10(4)22)12(23)6-11(13)19-21/h5-6,19H,1-4H3,(H,18,22)
InChIKeyLNMYJCGHXZVDMS-UHFFFAOYSA-N
XLogP0.29
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide (CID 66495122) is N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide is CC(=O)Nn1c(C)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2cc1=O.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide?
The InChIKey is LNMYJCGHXZVDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-7-5-8(2)17-15(16-7)21-14(24)13-9(3)20(18-10(4)22)12(23)6-11(13)19-21/h5-6,19H,1-4H3,(H,18,22).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide has a molecular weight of 328.33 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 66495122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).