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

C14H21N3O3 — CID 111426076

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NCC(O)C2CCCC2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-2-17-13(19)8-7-11(16-17)14(20)15-9-12(18)10-5-3-4-6-10/h7-8,10,12,18H,2-6,9H2,1H3,(H,15,20)
InChIKeyIYUURBBUDGUABQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.54
Rot. Bonds5

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

N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide (PubChem CID 111426076) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
PubChem CID111426076
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NCC(O)C2CCCC2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-2-17-13(19)8-7-11(16-17)14(20)15-9-12(18)10-5-3-4-6-10/h7-8,10,12,18H,2-6,9H2,1H3,(H,15,20)
InChIKeyIYUURBBUDGUABQ-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 111426020
1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
CID 111426248
1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
CID 111115815
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
N-(2-cyclopentyl-2-hydroxyethyl)furan-3-carboxamide
CID 111426324
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90498743
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103771085
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide (CID 111426076) is N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)NCC(O)C2CCCC2)ccc1=O.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is IYUURBBUDGUABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-17-13(19)8-7-11(16-17)14(20)15-9-12(18)10-5-3-4-6-10/h7-8,10,12,18H,2-6,9H2,1H3,(H,15,20).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111426076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).