N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide

C18H14N2O4 — CID 91817251

IUPACN-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cccnc1-c1ccco1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O4/c21-18(12-5-6-14-16(9-12)24-11-23-14)20-10-13-3-1-7-19-17(13)15-4-2-8-22-15/h1-9H,10-11H2,(H,20,21)
InChIKeyNKNZCOGUFFILDM-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.00
Rot. Bonds4

About N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 91817251) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID91817251
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cccnc1-c1ccco1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O4/c21-18(12-5-6-14-16(9-12)24-11-23-14)20-10-13-3-1-7-19-17(13)15-4-2-8-22-15/h1-9H,10-11H2,(H,20,21)
InChIKeyNKNZCOGUFFILDM-UHFFFAOYSA-N
XLogP3.00
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42396037
N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 110443683
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155289
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
[2-(furan-2-yl)-3-pyridinyl]methanol
CID 91990185
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
N-[(5-pyridin-3-yl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 131701996
N-[[2-[(2-methylbutanoylamino)methyl]-4-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 157016298
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086966
N-[[4-(aminomethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 60918410
2-cyclopentylsulfanyl-N-[[2-(furan-2-yl)-3-pyridinyl]methyl]acetamide
CID 91817271

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide (CID 91817251) is N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCc1cccnc1-c1ccco1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NKNZCOGUFFILDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-18(12-5-6-14-16(9-12)24-11-23-14)20-10-13-3-1-7-19-17(13)15-4-2-8-22-15/h1-9H,10-11H2,(H,20,21).
What are the key properties of N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 91817251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).