2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile

C17H14ClN3O2S — CID 25140584

IUPAC2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile
SMILESCCOc1cc(C2=CC(c3cccs3)C(C#N)=C(N)O2)cc(Cl)n1
InChIInChI=1S/C17H14ClN3O2S/c1-2-22-16-7-10(6-15(18)21-16)13-8-11(14-4-3-5-24-14)12(9-19)17(20)23-13/h3-8,11H,2,20H2,1H3
InChIKeyMAQREDGAGUHTOD-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.04
Rot. Bonds4

About 2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile

2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile (PubChem CID 25140584) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile
PubChem CID25140584
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile
SMILESCCOc1cc(C2=CC(c3cccs3)C(C#N)=C(N)O2)cc(Cl)n1
InChIInChI=1S/C17H14ClN3O2S/c1-2-22-16-7-10(6-15(18)21-16)13-8-11(14-4-3-5-24-14)12(9-19)17(20)23-13/h3-8,11H,2,20H2,1H3
InChIKeyMAQREDGAGUHTOD-UHFFFAOYSA-N
XLogP4.04
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl (4S)-6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 682852
ethyl 6-amino-5-cyano-2-(4-methoxyphenyl)-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 3154897
2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile
CID 139267339
ethyl (4S)-6-amino-5-cyano-2-propyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 754388
2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 14066090
methyl (4S)-6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 679385
6-amino-3-ethyl-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3141758
ethyl 6-amino-2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-5-cyano-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 6615819
(4R)-6-amino-3-(4-chlorophenyl)-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 978777
prop-2-enyl 6-amino-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxylate
CID 4518786
(1S)-3-amino-1-thiophen-2-yl-1H-benzo[f]chromene-2-carbonitrile
CID 968497
6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide
CID 3577538

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile (CID 25140584) is 2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile is CCOc1cc(C2=CC(c3cccs3)C(C#N)=C(N)O2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile?
The InChIKey is MAQREDGAGUHTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-2-22-16-7-10(6-15(18)21-16)13-8-11(14-4-3-5-24-14)12(9-19)17(20)23-13/h3-8,11H,2,20H2,1H3.
What are the key properties of 2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile?
2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile has a molecular weight of 359.84 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 25140584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).