1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid

C13H17N3O3 — CID 104669963

IUPAC1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1ccnnc1
InChIInChI=1S/C13H17N3O3/c1-13(12(18)19)6-3-2-4-10(13)16-11(17)9-5-7-14-15-8-9/h5,7-8,10H,2-4,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyOCDNJJQCTQGYHF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.24
Rot. Bonds3

About 1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid

1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 104669963) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID104669963
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1ccnnc1
InChIInChI=1S/C13H17N3O3/c1-13(12(18)19)6-3-2-4-10(13)16-11(17)9-5-7-14-15-8-9/h5,7-8,10H,2-4,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyOCDNJJQCTQGYHF-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760527
1-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214052
2-(furan-3-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214058
2-[(3,4-difluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211631
2-[(4-iodobenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759798
2-[(4-amino-3-fluorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209773
2-[(4-bromo-3-chlorobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210681
2-[(3,5-dihydroxybenzoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107702822
2-[(3-fluoropyridine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760270
2-[(2-bromofuran-3-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 106851180
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213832
2-[(3-cyanobenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83210673

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid (CID 104669963) is 1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1NC(=O)c1ccnnc1.
What is the InChIKey of 1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is OCDNJJQCTQGYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(12(18)19)6-3-2-4-10(13)16-11(17)9-5-7-14-15-8-9/h5,7-8,10H,2-4,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid?
1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104669963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).