N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide

C18H12N2O3S — CID 23827885

IUPACN-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)n1
InChIInChI=1S/C18H12N2O3S/c1-10-5-4-8-15(19-10)20-17(21)14-9-12-16(24-14)11-6-2-3-7-13(11)23-18(12)22/h2-9H,1H3,(H,19,20,21)
InChIKeyUQTSBIRBARSEOT-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.96
Rot. Bonds2

About N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide

N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide (PubChem CID 23827885) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
PubChem CID23827885
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC NameN-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)n1
InChIInChI=1S/C18H12N2O3S/c1-10-5-4-8-15(19-10)20-17(21)14-9-12-16(24-14)11-6-2-3-7-13(11)23-18(12)22/h2-9H,1H3,(H,19,20,21)
InChIKeyUQTSBIRBARSEOT-UHFFFAOYSA-N
XLogP3.96
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 22310643
N-butan-2-yl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 5202934
N-butyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 22423035
8-methyl-4-oxo-N-(1,3-thiazol-2-yl)thieno[3,2-c]chromene-2-carboxamide
CID 20865592
N-(3-ethoxypropyl)-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 22334383
8-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 20865578
3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 741782
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
4-chloro-5-ethyl-N-(6-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 130283556
N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]chromene-2-carboxamide
CID 15997027
N-cyclopropyl-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 6619669
N-(6-methoxy-1,3-benzothiazol-2-yl)-8-methyl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 20865439

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide (CID 23827885) is N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide is Cc1cccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide?
The InChIKey is UQTSBIRBARSEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S/c1-10-5-4-8-15(19-10)20-17(21)14-9-12-16(24-14)11-6-2-3-7-13(11)23-18(12)22/h2-9H,1H3,(H,19,20,21).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide?
N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-oxothieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 23827885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).