N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide

C17H15N3O2 — CID 121023120

IUPACN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nccnc2-c2ccco2)c1
InChIInChI=1S/C17H15N3O2/c1-12-4-2-5-13(10-12)17(21)20-11-14-16(19-8-7-18-14)15-6-3-9-22-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyLSGCZXNAYWSCCU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.98
Rot. Bonds4

About N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide (PubChem CID 121023120) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
PubChem CID121023120
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nccnc2-c2ccco2)c1
InChIInChI=1S/C17H15N3O2/c1-12-4-2-5-13(10-12)17(21)20-11-14-16(19-8-7-18-14)15-6-3-9-22-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyLSGCZXNAYWSCCU-UHFFFAOYSA-N
XLogP2.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198851
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-pyrazol-1-ylbenzamide
CID 119105900
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 121198817
3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198864
5-fluoro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 119105906
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 119105889
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide
CID 119105875
4-(dimethylsulfamoyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198772
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]naphthalene-1-carboxamide
CID 121198866
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 119105901
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide (CID 121023120) is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2nccnc2-c2ccco2)c1.
What is the InChIKey of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide?
The InChIKey is LSGCZXNAYWSCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-4-2-5-13(10-12)17(21)20-11-14-16(19-8-7-18-14)15-6-3-9-22-15/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide?
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide has a molecular weight of 293.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide is sourced from PubChem (CID 121023120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).