5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile

C14H14N2O3 — CID 3262461

IUPAC5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile
SMILESCC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(C)o1
InChIInChI=1S/C14H14N2O3/c1-7-4-5-11(18-7)13-10(6-15)14(16)19-9(3)12(13)8(2)17/h4-5,13H,16H2,1-3H3
InChIKeyPJXCYNWNKMKNNB-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.26
Rot. Bonds2

About 5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile

5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile (PubChem CID 3262461) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile
PubChem CID3262461
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile
SMILESCC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(C)o1
InChIInChI=1S/C14H14N2O3/c1-7-4-5-11(18-7)13-10(6-15)14(16)19-9(3)12(13)8(2)17/h4-5,13H,16H2,1-3H3
InChIKeyPJXCYNWNKMKNNB-UHFFFAOYSA-N
XLogP2.26
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetyl-2-amino-4-(2-furanyl)-6-methyl-4H-pyran-3-carbonitrile
CID 540386
2-amino-7-methyl-4-(5-methylfuran-2-yl)-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile
CID 3156318
ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-propyl-4H-pyran-3-carboxylate
CID 3160917
ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate
CID 662548
prop-2-en-1-yl 6-amino-5-cyano-4-(furan-2-yl)-2-methyl-4H-pyran-3-carboxylate
CID 534380
2-[5-(2-Fluoro-phenyl)-furan-2-ylmethylene]-malononitrile
CID 1135108
ethyl 6-amino-5-cyano-2-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carboxylate
CID 3129415
2-Amino-4-((E)-2-furan-2-yl-1-methyl-vinyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 5769217
2-amino-4-(furan-2-yl)-6-hydroxy-5,8-dioxo-7-undecyl-4H-chromene-3-carbonitrile
CID 145982009
methyl 6-amino-5-cyano-4-(2-furyl)-2-methyl-4H-pyran-3-carboxylate
CID 2951768
2-(Ethylsulfanyl)-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
CID 3801957
2-Amino-6-(hydroxymethyl)-4-(5-methyl-2-furyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
CID 654659

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile?
The IUPAC name of 5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile (CID 3262461) is 5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile is CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(C)o1.
What is the InChIKey of 5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile?
The InChIKey is PJXCYNWNKMKNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-7-4-5-11(18-7)13-10(6-15)14(16)19-9(3)12(13)8(2)17/h4-5,13H,16H2,1-3H3.
What are the key properties of 5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile?
5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-amino-6-methyl-4-(5-methylfuran-2-yl)-4H-pyran-3-carbonitrile is sourced from PubChem (CID 3262461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).