4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide

C19H13N3O3S — CID 119106291

IUPAC4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
SMILESO=C(NCc1nccnc1-c1cccs1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H13N3O3S/c23-14-10-16(25-15-5-2-1-4-12(14)15)19(24)22-11-13-18(21-8-7-20-13)17-6-3-9-26-17/h1-10H,11H2,(H,22,24)
InChIKeyPTMWTHCJYMNDBV-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.24
Rot. Bonds4

About 4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide

4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide (PubChem CID 119106291) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
PubChem CID119106291
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
SMILESO=C(NCc1nccnc1-c1cccs1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H13N3O3S/c23-14-10-16(25-15-5-2-1-4-12(14)15)19(24)22-11-13-18(21-8-7-20-13)17-6-3-9-26-17/h1-10H,11H2,(H,22,24)
InChIKeyPTMWTHCJYMNDBV-UHFFFAOYSA-N
XLogP3.24
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide (CID 119106291) is 4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide is O=C(NCc1nccnc1-c1cccs1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide?
The InChIKey is PTMWTHCJYMNDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-14-10-16(25-15-5-2-1-4-12(14)15)19(24)22-11-13-18(21-8-7-20-13)17-6-3-9-26-17/h1-10H,11H2,(H,22,24).
What are the key properties of 4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide?
4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide is sourced from PubChem (CID 119106291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).