1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

C14H21N3O3 — CID 115441154

IUPAC1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCOc1cncc(NCC2(C(=O)O)CCC(C)CC2)n1
InChIInChI=1S/C14H21N3O3/c1-10-3-5-14(6-4-10,13(18)19)9-16-11-7-15-8-12(17-11)20-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIWKNUQQRTLPEMZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.18
Rot. Bonds5

About 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115441154) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115441154
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCOc1cncc(NCC2(C(=O)O)CCC(C)CC2)n1
InChIInChI=1S/C14H21N3O3/c1-10-3-5-14(6-4-10,13(18)19)9-16-11-7-15-8-12(17-11)20-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIWKNUQQRTLPEMZ-UHFFFAOYSA-N
XLogP2.18
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309144
1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450341
1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436121
4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438674
4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438744
1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441131
4-[(6-methoxypyrazin-2-yl)amino]oxane-4-carboxylic acid
CID 113280252
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-methoxypyrazin-2-amine
CID 113295240
4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113310399
N-(cyclohexylmethyl)-6-methoxypyrazin-2-amine
CID 155403653
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
1-[[(4-cyanopyridazin-3-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441158

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115441154) is 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is COc1cncc(NCC2(C(=O)O)CCC(C)CC2)n1.
What is the InChIKey of 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is IWKNUQQRTLPEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-3-5-14(6-4-10,13(18)19)9-16-11-7-15-8-12(17-11)20-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115441154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).