N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C15H15N5O3 — CID 146129208

IUPACN-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCC(=O)NC2=O)cnn1-c1ccccn1
InChIInChI=1S/C15H15N5O3/c1-9-10(8-17-20(9)12-4-2-3-7-16-12)14(22)18-11-5-6-13(21)19-15(11)23/h2-4,7-8,11H,5-6H2,1H3,(H,18,22)(H,19,21,23)
InChIKeyQMPNAXYDYWPQGJ-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.11
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 146129208) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID146129208
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCC(=O)NC2=O)cnn1-c1ccccn1
InChIInChI=1S/C15H15N5O3/c1-9-10(8-17-20(9)12-4-2-3-7-16-12)14(22)18-11-5-6-13(21)19-15(11)23/h2-4,7-8,11H,5-6H2,1H3,(H,18,22)(H,19,21,23)
InChIKeyQMPNAXYDYWPQGJ-UHFFFAOYSA-N
XLogP0.11
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 146129208) is N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NC2CCC(=O)NC2=O)cnn1-c1ccccn1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is QMPNAXYDYWPQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9-10(8-17-20(9)12-4-2-3-7-16-12)14(22)18-11-5-6-13(21)19-15(11)23/h2-4,7-8,11H,5-6H2,1H3,(H,18,22)(H,19,21,23).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 146129208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).