2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile

C17H17N3O2 — CID 612574

IUPAC2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccnc1
InChIInChI=1S/C17H17N3O2/c1-17(2)6-12(21)15-13(7-17)22-16(19)11(8-18)14(15)10-4-3-5-20-9-10/h3-5,9,14H,6-7,19H2,1-2H3
InChIKeyUKFATYADHHPKQM-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.53
Rot. Bonds1

About 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile

2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile (PubChem CID 612574) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile
PubChem CID612574
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccnc1
InChIInChI=1S/C17H17N3O2/c1-17(2)6-12(21)15-13(7-17)22-16(19)11(8-18)14(15)10-4-3-5-20-9-10/h3-5,9,14H,6-7,19H2,1-2H3
InChIKeyUKFATYADHHPKQM-UHFFFAOYSA-N
XLogP2.53
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.53
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
2-Amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 3236334
5-Acetyl-2-amino-6-methyl-4-(3-pyridinyl)-4H-pyran-3-carbonitrile
CID 2831029
2-Amino-4-(1-methyl-1H-pyrrol-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 3757409
5-Phenyl-2-{[(pyridin-4-ylmethyl)amino]methylidene}cyclohexane-1,3-dione
CID 135447670
2-methoxyethyl 2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 655012
2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 655935
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-1-(dimethylamino)-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2907787
2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 604910

Frequently Asked Questions

What is the IUPAC name of 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile (CID 612574) is 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccnc1.
What is the InChIKey of 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile?
The InChIKey is UKFATYADHHPKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-17(2)6-12(21)15-13(7-17)22-16(19)11(8-18)14(15)10-4-3-5-20-9-10/h3-5,9,14H,6-7,19H2,1-2H3.
What are the key properties of 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile?
2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile has a molecular weight of 295.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile is sourced from PubChem (CID 612574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).