1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid

C15H21N3O3 — CID 122117046

IUPAC1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCCc1nnc(C)cc1C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-4-13-12(6-10(3)16-17-13)14(19)18-7-9(2)5-11(8-18)15(20)21/h6,9,11H,4-5,7-8H2,1-3H3,(H,20,21)
InChIKeyKPTKIKPRACENTB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.53
Rot. Bonds3

About 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117046) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122117046
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCCc1nnc(C)cc1C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-4-13-12(6-10(3)16-17-13)14(19)18-7-9(2)5-11(8-18)15(20)21/h6,9,11H,4-5,7-8H2,1-3H3,(H,20,21)
InChIKeyKPTKIKPRACENTB-UHFFFAOYSA-N
XLogP1.53
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-5-methylpiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104671650
4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
CID 104669564
1-(3-ethyl-6-methylpyridazine-4-carbonyl)piperidine-3-carbothioamide
CID 104670482
(3-chloropyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 104672468
(3-aminopyrrolidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 113439379
(3-chloropiperidin-1-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 113439512
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104669366
(3-ethyl-6-methylpyridazin-4-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 104625783
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-2-yl]acetic acid
CID 104669797
1-(2,4-dimethylbenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119554
5-methyl-1-(2-methyl-5-methylsulfanylbenzoyl)piperidine-3-carboxylic acid
CID 122118920
1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117752

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122117046) is 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid is CCc1nnc(C)cc1C(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is KPTKIKPRACENTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-13-12(6-10(3)16-17-13)14(19)18-7-9(2)5-11(8-18)15(20)21/h6,9,11H,4-5,7-8H2,1-3H3,(H,20,21).
What are the key properties of 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).