N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide

C13H19N3O3 — CID 54994167

IUPACN-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(CCO)C2CCCC2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-15-12(18)7-6-11(14-15)13(19)16(8-9-17)10-4-2-3-5-10/h6-7,10,17H,2-5,8-9H2,1H3
InChIKeyZCGBZUSFURPINC-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.16
Rot. Bonds4

About N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 54994167) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID54994167
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(CCO)C2CCCC2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-15-12(18)7-6-11(14-15)13(19)16(8-9-17)10-4-2-3-5-10/h6-7,10,17H,2-5,8-9H2,1H3
InChIKeyZCGBZUSFURPINC-UHFFFAOYSA-N
XLogP0.16
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 54994167) is N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)N(CCO)C2CCCC2)ccc1=O.
What is the InChIKey of N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZCGBZUSFURPINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15-12(18)7-6-11(14-15)13(19)16(8-9-17)10-4-2-3-5-10/h6-7,10,17H,2-5,8-9H2,1H3.
What are the key properties of N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 54994167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).