2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H17N3O3 — CID 113439189

IUPAC2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC2C(=O)O)c(C)nn1
InChIInChI=1S/C13H17N3O3/c1-7-6-10(8(2)16-15-7)12(17)14-11-5-3-4-9(11)13(18)19/h6,9,11H,3-5H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyKMJWITGSBRHZMN-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.08
Rot. Bonds3

About 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 113439189) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID113439189
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2CCCC2C(=O)O)c(C)nn1
InChIInChI=1S/C13H17N3O3/c1-7-6-10(8(2)16-15-7)12(17)14-11-5-3-4-9(11)13(18)19/h6,9,11H,3-5H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyKMJWITGSBRHZMN-UHFFFAOYSA-N
XLogP1.08
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104927899
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790683
4-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 104669802
2-[(4-methylthiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 79803050
2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 120532905
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790685
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293
2-[(2,5-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813271
2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 120533016
trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 113439189) is 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1cc(C(=O)NC2CCCC2C(=O)O)c(C)nn1.
What is the InChIKey of 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is KMJWITGSBRHZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7-6-10(8(2)16-15-7)12(17)14-11-5-3-4-9(11)13(18)19/h6,9,11H,3-5H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113439189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).