[3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate

C16H23NO3 — CID 118915583

IUPAC[3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate
SMILESCCCC1CCC(c2ccnc(OC(=O)O)c2C)CC1
InChIInChI=1S/C16H23NO3/c1-3-4-12-5-7-13(8-6-12)14-9-10-17-15(11(14)2)20-16(18)19/h9-10,12-13H,3-8H2,1-2H3,(H,18,19)
InChIKeyZZZIZCRMSZWQDL-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.52
Rot. Bonds4

About [3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate

[3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate (PubChem CID 118915583) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate
PubChem CID118915583
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate
SMILESCCCC1CCC(c2ccnc(OC(=O)O)c2C)CC1
InChIInChI=1S/C16H23NO3/c1-3-4-12-5-7-13(8-6-12)14-9-10-17-15(11(14)2)20-16(18)19/h9-10,12-13H,3-8H2,1-2H3,(H,18,19)
InChIKeyZZZIZCRMSZWQDL-UHFFFAOYSA-N
XLogP4.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate (CID 118915583) is [3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate is CCCC1CCC(c2ccnc(OC(=O)O)c2C)CC1.
What is the InChIKey of [3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate?
The InChIKey is ZZZIZCRMSZWQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-4-12-5-7-13(8-6-12)14-9-10-17-15(11(14)2)20-16(18)19/h9-10,12-13H,3-8H2,1-2H3,(H,18,19).
What are the key properties of [3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate?
[3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate has a molecular weight of 277.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(4-propylcyclohexyl)-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 118915583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).