2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile

C19H15N3O2S — CID 46245176

IUPAC2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3cccs3)C2)C1c1cccnc1
InChIInChI=1S/C19H15N3O2S/c20-9-13-17(11-3-1-5-22-10-11)18-14(23)7-12(16-4-2-6-25-16)8-15(18)24-19(13)21/h1-6,10,12,17H,7-8,21H2
InChIKeyAHVBSOCTYIIQFI-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.35
Rot. Bonds2

About 2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile

2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 46245176) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID46245176
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CC(c3cccs3)C2)C1c1cccnc1
InChIInChI=1S/C19H15N3O2S/c20-9-13-17(11-3-1-5-22-10-11)18-14(23)7-12(16-4-2-6-25-16)8-15(18)24-19(13)21/h1-6,10,12,17H,7-8,21H2
InChIKeyAHVBSOCTYIIQFI-UHFFFAOYSA-N
XLogP3.35
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R,7S)-2-amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 701196
(4R,7S)-2-amino-7-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 765477
(4R,7R)-2-amino-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 975050
(4S,7S)-2-amino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 42533869
(4R,7S)-2-amino-5-oxo-4,7-diphenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 42533868
(4S,7S)-2-amino-4-(3-methylthiophen-2-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 1068056
(4S,7R)-2-amino-4-(3-methylthiophen-2-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 1068058
(4R)-2-amino-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 698802
2-amino-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 2838960
(4S,7S)-2-amino-4-(3-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 1035913
2-amino-7-(3-chlorophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 3402425
2-amino-7-(3-chlorophenyl)-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 3744828

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 46245176) is 2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)CC(c3cccs3)C2)C1c1cccnc1.
What is the InChIKey of 2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is AHVBSOCTYIIQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c20-9-13-17(11-3-1-5-22-10-11)18-14(23)7-12(16-4-2-6-25-16)8-15(18)24-19(13)21/h1-6,10,12,17H,7-8,21H2.
What are the key properties of 2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 349.42 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxo-4-pyridin-3-yl-7-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 46245176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).