N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide

C15H23N3O3 — CID 111426020

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(O)C2CCCC2)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-2-9-18-14(20)8-7-12(17-18)15(21)16-10-13(19)11-5-3-4-6-11/h7-8,11,13,19H,2-6,9-10H2,1H3,(H,16,21)
InChIKeyFSGHVKVYCBGKLN-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.93
Rot. Bonds6

About N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 111426020) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID111426020
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(O)C2CCCC2)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-2-9-18-14(20)8-7-12(17-18)15(21)16-10-13(19)11-5-3-4-6-11/h7-8,11,13,19H,2-6,9-10H2,1H3,(H,16,21)
InChIKeyFSGHVKVYCBGKLN-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
CID 111426076
1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
CID 111426248
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103771085
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
N-(4-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
6-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1-propylpyridazine-3-carboxamide
CID 30333373
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 111426020) is N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC(O)C2CCCC2)ccc1=O.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is FSGHVKVYCBGKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-9-18-14(20)8-7-12(17-18)15(21)16-10-13(19)11-5-3-4-6-11/h7-8,11,13,19H,2-6,9-10H2,1H3,(H,16,21).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.93, 6 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)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 111426020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).