1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide

C15H23N3O3 — CID 62519118

IUPAC1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC2(CO)CCCC2)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-2-3-10-18-13(20)7-6-12(17-18)14(21)16-15(11-19)8-4-5-9-15/h6-7,19H,2-5,8-11H2,1H3,(H,16,21)
InChIKeyOQECOCMKLMAKIP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.08
Rot. Bonds6

About 1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide (PubChem CID 62519118) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide
PubChem CID62519118
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC2(CO)CCCC2)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-2-3-10-18-13(20)7-6-12(17-18)14(21)16-15(11-19)8-4-5-9-15/h6-7,19H,2-5,8-11H2,1H3,(H,16,21)
InChIKeyOQECOCMKLMAKIP-UHFFFAOYSA-N
XLogP1.08
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide (CID 62519118) is 1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NC2(CO)CCCC2)ccc1=O.
What is the InChIKey of 1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is OQECOCMKLMAKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-3-10-18-13(20)7-6-12(17-18)14(21)16-15(11-19)8-4-5-9-15/h6-7,19H,2-5,8-11H2,1H3,(H,16,21).
What are the key properties of 1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 62519118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).