2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C19H17N3OS2 — CID 3730116

IUPAC2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCN1CC(=Cc2ccsc2)C2=C(C1)C(c1ccsc1)C(C#N)=C(N)O2
InChIInChI=1S/C19H17N3OS2/c1-22-8-14(6-12-2-4-24-10-12)18-16(9-22)17(13-3-5-25-11-13)15(7-20)19(21)23-18/h2-6,10-11,17H,8-9,21H2,1H3
InChIKeyJCDPDYKQFWTJNV-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.90
Rot. Bonds2

About 2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 3730116) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID3730116
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCN1CC(=Cc2ccsc2)C2=C(C1)C(c1ccsc1)C(C#N)=C(N)O2
InChIInChI=1S/C19H17N3OS2/c1-22-8-14(6-12-2-4-24-10-12)18-16(9-22)17(13-3-5-25-11-13)15(7-20)19(21)23-18/h2-6,10-11,17H,8-9,21H2,1H3
InChIKeyJCDPDYKQFWTJNV-UHFFFAOYSA-N
XLogP3.90
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_amino_CN_A(13)', 'substructure': 'N/A'}

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Related Compounds

(8E)-2-amino-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-4,5,6,7-tetrahydrochromene-3-carbonitrile
CID 5285234
(8E)-2-amino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 5470908
(4R)-2-amino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 1266308
(8E)-2-amino-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 5285863
2,7-diamino-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2839508
(8Z)-2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methyl]-8-[(4-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 56960367
(8E)-2-amino-6-ethyl-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 6274821
2-amino-4-(3-bromophenyl)-8-[(3-bromophenyl)methylidene]-6-ethyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 5119598
(4S,7E)-2-amino-7-benzylidene-4-phenyl-5,6-dihydro-4H-cyclopenta[b]pyran-3-carbonitrile
CID 693825
tert-butyl (8E)-2-amino-3-cyano-4-(4-fluorophenyl)-8-[(4-fluorophenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-6-carboxylate
CID 6298834
2-amino-6-benzyl-4-(4-ethoxyphenyl)-8-[(4-ethoxyphenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3816164
ethyl (4R)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-thiophen-3-yl-4H-pyran-3-carboxylate
CID 1089616

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 3730116) is 2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CN1CC(=Cc2ccsc2)C2=C(C1)C(c1ccsc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is JCDPDYKQFWTJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-22-8-14(6-12-2-4-24-10-12)18-16(9-22)17(13-3-5-25-11-13)15(7-20)19(21)23-18/h2-6,10-11,17H,8-9,21H2,1H3.
What are the key properties of 2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 367.50 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-thiophen-3-yl-8-(thiophen-3-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 3730116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).