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

C15H22N2O2 — CID 114075042

IUPACmethyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate
SMILESCCC1CCCC(Nc2cc(C(=O)OC)ccn2)C1
InChIInChI=1S/C15H22N2O2/c1-3-11-5-4-6-13(9-11)17-14-10-12(7-8-16-14)15(18)19-2/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyWOXOCCMLAKNASN-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.25
Rot. Bonds4

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

methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate (PubChem CID 114075042) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate
PubChem CID114075042
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate
SMILESCCC1CCCC(Nc2cc(C(=O)OC)ccn2)C1
InChIInChI=1S/C15H22N2O2/c1-3-11-5-4-6-13(9-11)17-14-10-12(7-8-16-14)15(18)19-2/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyWOXOCCMLAKNASN-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

methyl 4-[(3-ethylcyclohexyl)amino]pyrimidine-2-carboxylate
CID 66287288
methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate
CID 66287289
methyl 2-(thian-3-ylamino)pyridine-4-carboxylate
CID 114075092
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971
methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate
CID 114075047
methyl 2-[(3-ethylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 80572945
4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 64749962
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 3-[(4-ethylcycloheptyl)amino]-4-fluorobenzoate
CID 65084484
3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80516623
N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
CID 115417081
1-[4-[(3-ethylcyclohexyl)amino]phenyl]ethanone
CID 114468269

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate (CID 114075042) is methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate is CCC1CCCC(Nc2cc(C(=O)OC)ccn2)C1.
What is the InChIKey of methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate?
The InChIKey is WOXOCCMLAKNASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-11-5-4-6-13(9-11)17-14-10-12(7-8-16-14)15(18)19-2/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate?
methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-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 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114075042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).