5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C12H12N2O2 — CID 903714

IUPAC5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cccnc2)o1
InChIInChI=1S/C12H12N2O2/c1-9-4-5-11(16-9)12(15)14-8-10-3-2-6-13-7-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyCXIJCEGRXPPFDN-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.91
Rot. Bonds3

About 5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 903714) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID903714
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cccnc2)o1
InChIInChI=1S/C12H12N2O2/c1-9-4-5-11(16-9)12(15)14-8-10-3-2-6-13-7-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyCXIJCEGRXPPFDN-UHFFFAOYSA-N
XLogP1.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 903714) is 5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide is Cc1ccc(C(=O)NCc2cccnc2)o1.
What is the InChIKey of 5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is CXIJCEGRXPPFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-4-5-11(16-9)12(15)14-8-10-3-2-6-13-7-10/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 903714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).