3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

C16H14N2O2 — CID 805876

IUPAC3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)oc2ccccc12
InChIInChI=1S/C16H14N2O2/c1-11-13-6-2-3-7-14(13)20-15(11)16(19)18-10-12-5-4-8-17-9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyATGLMTDNGKGIRT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.07
Rot. Bonds3

About 3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 805876) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID805876
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)oc2ccccc12
InChIInChI=1S/C16H14N2O2/c1-11-13-6-2-3-7-14(13)20-15(11)16(19)18-10-12-5-4-8-17-9-12/h2-9H,10H2,1H3,(H,18,19)
InChIKeyATGLMTDNGKGIRT-UHFFFAOYSA-N
XLogP3.07
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide (CID 805876) is 3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2cccnc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ATGLMTDNGKGIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-13-6-2-3-7-14(13)20-15(11)16(19)18-10-12-5-4-8-17-9-12/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 805876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).