2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide

C15H18N2O2 — CID 39561336

IUPAC2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCCc2cccnc2)c1C
InChIInChI=1S/C15H18N2O2/c1-10-11(2)19-12(3)14(10)15(18)17-8-6-13-5-4-7-16-9-13/h4-5,7,9H,6,8H2,1-3H3,(H,17,18)
InChIKeyMGODVRJUUMMBIX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.57
Rot. Bonds4

About 2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide

2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide (PubChem CID 39561336) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide
PubChem CID39561336
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCCc2cccnc2)c1C
InChIInChI=1S/C15H18N2O2/c1-10-11(2)19-12(3)14(10)15(18)17-8-6-13-5-4-7-16-9-13/h4-5,7,9H,6,8H2,1-3H3,(H,17,18)
InChIKeyMGODVRJUUMMBIX-UHFFFAOYSA-N
XLogP2.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide (CID 39561336) is 2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide is Cc1oc(C)c(C(=O)NCCc2cccnc2)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide?
The InChIKey is MGODVRJUUMMBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-11(2)19-12(3)14(10)15(18)17-8-6-13-5-4-7-16-9-13/h4-5,7,9H,6,8H2,1-3H3,(H,17,18).
What are the key properties of 2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide?
2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(2-pyridin-3-ylethyl)furan-3-carboxamide is sourced from PubChem (CID 39561336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).