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

C16H18N6O3 — CID 66495131

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
SMILESCCC(=O)Nn1c(C)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2cc1=O
InChIInChI=1S/C16H18N6O3/c1-5-12(23)20-21-10(4)14-11(7-13(21)24)19-22(15(14)25)16-17-8(2)6-9(3)18-16/h6-7,19H,5H2,1-4H3,(H,20,23)
InChIKeyYVEWWRSPBXYXLH-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.68
Rot. Bonds3

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

N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]propanamide (PubChem CID 66495131) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 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]propanamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
PubChem CID66495131
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
SMILESCCC(=O)Nn1c(C)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2cc1=O
InChIInChI=1S/C16H18N6O3/c1-5-12(23)20-21-10(4)14-11(7-13(21)24)19-22(15(14)25)16-17-8(2)6-9(3)18-16/h6-7,19H,5H2,1-4H3,(H,20,23)
InChIKeyYVEWWRSPBXYXLH-UHFFFAOYSA-N
XLogP0.68
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.68
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]propanamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]propanamide (CID 66495131) is N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]propanamide.
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]propanamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]propanamide is CCC(=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]propanamide?
The InChIKey is YVEWWRSPBXYXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-5-12(23)20-21-10(4)14-11(7-13(21)24)19-22(15(14)25)16-17-8(2)6-9(3)18-16/h6-7,19H,5H2,1-4H3,(H,20,23).
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]propanamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]propanamide has a molecular weight of 342.36 g/mol, XLogP of 0.68, 3 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]propanamide is sourced from PubChem (CID 66495131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).