2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid

C14H19N3O3 — CID 136556228

IUPAC2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CCCCC2)cnn1
InChIInChI=1S/C14H19N3O3/c1-10-7-11(8-15-16-10)14(20)17(9-13(18)19)12-5-3-2-4-6-12/h7-8,12H,2-6,9H2,1H3,(H,18,19)
InChIKeyJKQASWZQZRRHGW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.64
Rot. Bonds4

About 2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid

2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid (PubChem CID 136556228) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid
PubChem CID136556228
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CCCCC2)cnn1
InChIInChI=1S/C14H19N3O3/c1-10-7-11(8-15-16-10)14(20)17(9-13(18)19)12-5-3-2-4-6-12/h7-8,12H,2-6,9H2,1H3,(H,18,19)
InChIKeyJKQASWZQZRRHGW-UHFFFAOYSA-N
XLogP1.64
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
2-[cyclopropyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63852185
2-[cyclohexyl-[1-(difluoromethyl)pyrazole-4-carbonyl]amino]acetic acid
CID 136556229
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 47212500
2-[cyclopentyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 60826942
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-methylpyridine-4-carboxamide
CID 106753961
2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid
CID 60826765
2-[(2-chloro-6-methylpyrimidine-4-carbonyl)-cyclopropylamino]acetic acid
CID 114219365
2-[cyclopropyl-[5-(3-methylphenyl)pyridine-3-carbonyl]amino]acetic acid
CID 120517497
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid
CID 60825353

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid (CID 136556228) is 2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)C2CCCCC2)cnn1.
What is the InChIKey of 2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid?
The InChIKey is JKQASWZQZRRHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-7-11(8-15-16-10)14(20)17(9-13(18)19)12-5-3-2-4-6-12/h7-8,12H,2-6,9H2,1H3,(H,18,19).
What are the key properties of 2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid?
2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(6-methylpyridazine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 136556228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).