N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide

C18H14N2O3S — CID 71938599

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCn1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)ccc1=O
InChIInChI=1S/C18H14N2O3S/c1-20-9-12(6-7-16(20)21)19-18(22)15-8-11-10-23-14-5-3-2-4-13(14)17(11)24-15/h2-9H,10H2,1H3,(H,19,22)
InChIKeyCNKOKXXKAPSUEQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.26
Rot. Bonds2

About N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide

N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 71938599) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID71938599
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCn1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)ccc1=O
InChIInChI=1S/C18H14N2O3S/c1-20-9-12(6-7-16(20)21)19-18(22)15-8-11-10-23-14-5-3-2-4-13(14)17(11)24-15/h2-9H,10H2,1H3,(H,19,22)
InChIKeyCNKOKXXKAPSUEQ-UHFFFAOYSA-N
XLogP3.26
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide (CID 71938599) is N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide is Cn1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is CNKOKXXKAPSUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-20-9-12(6-7-16(20)21)19-18(22)15-8-11-10-23-14-5-3-2-4-13(14)17(11)24-15/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide?
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 71938599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).