methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate

C17H22N2O3 — CID 71888558

IUPACmethyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCCC2CC3CCC2C3)n1
InChIInChI=1S/C17H22N2O3/c1-22-17(21)15-4-2-3-14(19-15)16(20)18-8-7-13-10-11-5-6-12(13)9-11/h2-4,11-13H,5-10H2,1H3,(H,18,20)
InChIKeyMMRPHEFYRUTRPN-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.42
Rot. Bonds5

About methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate

methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate (PubChem CID 71888558) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate
PubChem CID71888558
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namemethyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)NCCC2CC3CCC2C3)n1
InChIInChI=1S/C17H22N2O3/c1-22-17(21)15-4-2-3-14(19-15)16(20)18-8-7-13-10-11-5-6-12(13)9-11/h2-4,11-13H,5-10H2,1H3,(H,18,20)
InChIKeyMMRPHEFYRUTRPN-UHFFFAOYSA-N
XLogP2.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate (CID 71888558) is methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)NCCC2CC3CCC2C3)n1.
What is the InChIKey of methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is MMRPHEFYRUTRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-17(21)15-4-2-3-14(19-15)16(20)18-8-7-13-10-11-5-6-12(13)9-11/h2-4,11-13H,5-10H2,1H3,(H,18,20).
What are the key properties of methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate?
methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 71888558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).