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

C17H17N3O2S — CID 122246956

IUPACN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCc1ccsc1CCC(=O)NCc1nccnc1-c1ccoc1
InChIInChI=1S/C17H17N3O2S/c1-12-5-9-23-15(12)2-3-16(21)20-10-14-17(19-7-6-18-14)13-4-8-22-11-13/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyAYAWBHGADAHYGK-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.36
Rot. Bonds6

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

N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide (PubChem CID 122246956) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide
PubChem CID122246956
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCc1ccsc1CCC(=O)NCc1nccnc1-c1ccoc1
InChIInChI=1S/C17H17N3O2S/c1-12-5-9-23-15(12)2-3-16(21)20-10-14-17(19-7-6-18-14)13-4-8-22-11-13/h4-9,11H,2-3,10H2,1H3,(H,20,21)
InChIKeyAYAWBHGADAHYGK-UHFFFAOYSA-N
XLogP3.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 121196683
3-(4-fluoro-3-methylphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]propanamide
CID 122246957
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 122162973
2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide
CID 122162936
3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177697
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-4-propylbenzamide
CID 122162929
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 121137506
2-(benzimidazol-1-yl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide
CID 122162969
5-fluoro-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 122163013
3-(3-methylthiophen-2-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)propanamide
CID 122300397
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
3-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 115153356

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide?
The IUPAC name of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide (CID 122246956) is N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide.
What is the SMILES notation for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide?
The canonical SMILES for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide is Cc1ccsc1CCC(=O)NCc1nccnc1-c1ccoc1.
What is the InChIKey of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide?
The InChIKey is AYAWBHGADAHYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-5-9-23-15(12)2-3-16(21)20-10-14-17(19-7-6-18-14)13-4-8-22-11-13/h4-9,11H,2-3,10H2,1H3,(H,20,21).
What are the key properties of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide?
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 122246956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).