2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide

C18H22N2O3 — CID 91625968

IUPAC2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(Oc3ccccn3)CC2)c(C)o1
InChIInChI=1S/C18H22N2O3/c1-12-11-16(13(2)22-12)18(21)20-14-6-8-15(9-7-14)23-17-5-3-4-10-19-17/h3-5,10-11,14-15H,6-9H2,1-2H3,(H,20,21)
InChIKeyJLGFUJXFTNOTPR-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.41
Rot. Bonds4

About 2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide

2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide (PubChem CID 91625968) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide
PubChem CID91625968
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(Oc3ccccn3)CC2)c(C)o1
InChIInChI=1S/C18H22N2O3/c1-12-11-16(13(2)22-12)18(21)20-14-6-8-15(9-7-14)23-17-5-3-4-10-19-17/h3-5,10-11,14-15H,6-9H2,1-2H3,(H,20,21)
InChIKeyJLGFUJXFTNOTPR-UHFFFAOYSA-N
XLogP3.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide (CID 91625968) is 2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide is Cc1cc(C(=O)NC2CCC(Oc3ccccn3)CC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide?
The InChIKey is JLGFUJXFTNOTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-11-16(13(2)22-12)18(21)20-14-6-8-15(9-7-14)23-17-5-3-4-10-19-17/h3-5,10-11,14-15H,6-9H2,1-2H3,(H,20,21).
What are the key properties of 2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide?
2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-pyridin-2-yloxycyclohexyl)furan-3-carboxamide is sourced from PubChem (CID 91625968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).