N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide

C13H16N4O3 — CID 71789177

IUPACN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CC(=O)N(C3CC3)C2)ccc1=O
InChIInChI=1S/C13H16N4O3/c1-16-11(18)5-4-10(15-16)13(20)14-8-6-12(19)17(7-8)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,20)
InChIKeyWYEYMLPIVAFTPR-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.73
Rot. Bonds3

About N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 71789177) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID71789177
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CC(=O)N(C3CC3)C2)ccc1=O
InChIInChI=1S/C13H16N4O3/c1-16-11(18)5-4-10(15-16)13(20)14-8-6-12(19)17(7-8)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,20)
InChIKeyWYEYMLPIVAFTPR-UHFFFAOYSA-N
XLogP-0.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 71789177) is N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2CC(=O)N(C3CC3)C2)ccc1=O.
What is the InChIKey of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is WYEYMLPIVAFTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16-11(18)5-4-10(15-16)13(20)14-8-6-12(19)17(7-8)9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,20).
What are the key properties of N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 276.30 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 71789177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).