methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate

C13H16N2O2 — CID 114075047

IUPACmethyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC2CC=CCC2)c1
InChIInChI=1S/C13H16N2O2/c1-17-13(16)10-7-8-14-12(9-10)15-11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,14,15)
InChIKeyXEHRTJDRZGRYQY-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate

methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate (PubChem CID 114075047) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate
PubChem CID114075047
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namemethyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC2CC=CCC2)c1
InChIInChI=1S/C13H16N2O2/c1-17-13(16)10-7-8-14-12(9-10)15-11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,14,15)
InChIKeyXEHRTJDRZGRYQY-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(thian-3-ylamino)pyridine-4-carboxylate
CID 114075092
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971
methyl 2-[(3-ethylcyclohexyl)amino]pyridine-4-carboxylate
CID 114075042
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257
2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 114074924
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
4-[(4-methoxycarbonyl-2-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089442
methyl 2-cyclopropylsulfanylpyridine-4-carboxylate
CID 163367692
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 4-[[(1S)-cyclohex-3-en-1-yl]sulfamoyl]benzoate
CID 124505936
2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate (CID 114075047) is methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate is COC(=O)c1ccnc(NC2CC=CCC2)c1.
What is the InChIKey of methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate?
The InChIKey is XEHRTJDRZGRYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-17-13(16)10-7-8-14-12(9-10)15-11-5-3-2-4-6-11/h2-3,7-9,11H,4-6H2,1H3,(H,14,15).
What are the key properties of methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate?
methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate is sourced from PubChem (CID 114075047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).