5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile

C14H13N3O2 — CID 660976

IUPAC5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile
SMILESCC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccncc1
InChIInChI=1S/C14H13N3O2/c1-8(18)12-9(2)19-14(16)11(7-15)13(12)10-3-5-17-6-4-10/h3-6,13H,16H2,1-2H3
InChIKeySMGNLQBXFRCMHU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.75
Rot. Bonds2

About 5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile

5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile (PubChem CID 660976) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile
PubChem CID660976
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile
SMILESCC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccncc1
InChIInChI=1S/C14H13N3O2/c1-8(18)12-9(2)19-14(16)11(7-15)13(12)10-3-5-17-6-4-10/h3-6,13H,16H2,1-2H3
InChIKeySMGNLQBXFRCMHU-UHFFFAOYSA-N
XLogP1.75
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,7,7-Trimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2766175
CV 6504
CID 93543
2-Amino-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 612574
5-Acetyl-2-amino-6-methyl-4-(3-pyridinyl)-4H-pyran-3-carbonitrile
CID 2831029
2-amino-6-(2-(dimethylamino)ethyl)-7-methyl-5-oxo-4-(pyridin-4-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661775
3,5,6-Trimethyl-2-[1-(3-pyridyl)ethyl]-1,4-benzoquinone
CID 14277765
2-[1-(3-Pyridyl)pentyl]-3,5,6-trimethyl-1,4-benzoquinone
CID 14277772
1-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-1-(3-pyridyl)heptane
CID 14277780
2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 604910
ethyl 2-amino-3-cyano-6-methyl-5-(pyridin-4-yl)-4H-pyran-4-carboxylate
CID 657486
2-amino-6-ethyl-7-methyl-5-oxo-4-(pyridin-4-yl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 667412
2-Amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 2839577

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile?
The IUPAC name of 5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile (CID 660976) is 5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile is CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccncc1.
What is the InChIKey of 5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile?
The InChIKey is SMGNLQBXFRCMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8(18)12-9(2)19-14(16)11(7-15)13(12)10-3-5-17-6-4-10/h3-6,13H,16H2,1-2H3.
What are the key properties of 5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile?
5-acetyl-2-amino-6-methyl-4-pyridin-4-yl-4H-pyran-3-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 1.75, 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-pyridin-4-yl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 660976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).