methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate

C15H22N2O2 — CID 66287289

IUPACmethyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate
SMILESCCC1CCCC(Nc2ccnc(C(=O)OC)c2)C1
InChIInChI=1S/C15H22N2O2/c1-3-11-5-4-6-12(9-11)17-13-7-8-16-14(10-13)15(18)19-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyXPZYITVFYGVGKL-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.25
Rot. Bonds4

About methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate

methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate (PubChem CID 66287289) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate
PubChem CID66287289
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate
SMILESCCC1CCCC(Nc2ccnc(C(=O)OC)c2)C1
InChIInChI=1S/C15H22N2O2/c1-3-11-5-4-6-12(9-11)17-13-7-8-16-14(10-13)15(18)19-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyXPZYITVFYGVGKL-UHFFFAOYSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 64749962
methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate
CID 114075042
methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate
CID 79110249
methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate
CID 66287288
2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66287399
methyl 2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 80572945
methyl 4-[2-(cycloheptylamino)ethylamino]pyridine-2-carboxylate
CID 115306769
1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
CID 114468269
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
CID 66285903
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate (CID 66287289) is methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate is CCC1CCCC(Nc2ccnc(C(=O)OC)c2)C1.
What is the InChIKey of methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate?
The InChIKey is XPZYITVFYGVGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-11-5-4-6-12(9-11)17-13-7-8-16-14(10-13)15(18)19-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate?
methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 66287289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).