N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide

C15H13N3O2S — CID 121198890

IUPACN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2nccnc2-c2ccco2)s1
InChIInChI=1S/C15H13N3O2S/c1-10-4-5-13(21-10)15(19)18-9-11-14(17-7-6-16-11)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyUBGFQTXEBPNBIQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.04
Rot. Bonds4

About N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 121198890) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID121198890
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2nccnc2-c2ccco2)s1
InChIInChI=1S/C15H13N3O2S/c1-10-4-5-13(21-10)15(19)18-9-11-14(17-7-6-16-11)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyUBGFQTXEBPNBIQ-UHFFFAOYSA-N
XLogP3.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
CID 121023120
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 119105889
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 119105910
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 119105901
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 121023148
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 51097706
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]naphthalene-1-carboxamide
CID 121198866
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 121198817
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198851
3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198864

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide (CID 121198890) is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCc2nccnc2-c2ccco2)s1.
What is the InChIKey of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is UBGFQTXEBPNBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-4-5-13(21-10)15(19)18-9-11-14(17-7-6-16-11)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 121198890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).