ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate

C15H20N4O2 — CID 135242020

IUPACethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2cccc(CN=[N+]=[N-])n2)CC1
InChIInChI=1S/C15H20N4O2/c1-2-21-15(20)12-8-6-11(7-9-12)14-5-3-4-13(18-14)10-17-19-16/h3-5,11-12H,2,6-10H2,1H3
InChIKeyHKGXLTWAKWXHJX-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.73
Rot. Bonds5

About ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate

ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate (PubChem CID 135242020) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate
PubChem CID135242020
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2cccc(CN=[N+]=[N-])n2)CC1
InChIInChI=1S/C15H20N4O2/c1-2-21-15(20)12-8-6-11(7-9-12)14-5-3-4-13(18-14)10-17-19-16/h3-5,11-12H,2,6-10H2,1H3
InChIKeyHKGXLTWAKWXHJX-UHFFFAOYSA-N
XLogP3.73
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(6-chloro-2-pyridinyl)cyclohexane-1-carboxylate
CID 58485016
ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate
CID 58485008
ethyl 4-(2-methylpyrimidin-4-yl)cyclohexane-1-carboxylate
CID 58484998
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl 1-(3-azidopropyl)piperidine-4-carboxylate
CID 61396666
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
cis-ethyl (1R,4S)-3-azido-4-hydroxycyclohexane-1-carboxylate
CID 129167727
ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
CID 71264813
(6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride
CID 162422686
ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
CID 69398748
ethyl 4-pyrimidin-2-yloxycyclohexane-1-carboxylate
CID 86642054
ethyl cyclopropanecarboxylate;3-methylphenol
CID 144863890

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate (CID 135242020) is ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(c2cccc(CN=[N+]=[N-])n2)CC1.
What is the InChIKey of ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate?
The InChIKey is HKGXLTWAKWXHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-21-15(20)12-8-6-11(7-9-12)14-5-3-4-13(18-14)10-17-19-16/h3-5,11-12H,2,6-10H2,1H3.
What are the key properties of ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate?
ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(azidomethyl)-2-pyridinyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 135242020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).