2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile

C19H19N3O2 — CID 15228743

IUPAC2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
SMILESCNCC1=C(n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C
InChIInChI=1S/C19H19N3O2/c1-19(2)15(12-21-3)18(22-9-5-4-6-17(22)23)14-10-13(11-20)7-8-16(14)24-19/h4-10,21H,12H2,1-3H3
InChIKeyFSMCDCADIBTFGB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.37
Rot. Bonds3

About 2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile

2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile (PubChem CID 15228743) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
PubChem CID15228743
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
SMILESCNCC1=C(n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C
InChIInChI=1S/C19H19N3O2/c1-19(2)15(12-21-3)18(22-9-5-4-6-17(22)23)14-10-13(11-20)7-8-16(14)24-19/h4-10,21H,12H2,1-3H3
InChIKeyFSMCDCADIBTFGB-UHFFFAOYSA-N
XLogP2.37
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
The IUPAC name of 2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile (CID 15228743) is 2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile.
What is the SMILES notation for 2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
The canonical SMILES for 2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile is CNCC1=C(n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
The InChIKey is FSMCDCADIBTFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2)15(12-21-3)18(22-9-5-4-6-17(22)23)14-10-13(11-20)7-8-16(14)24-19/h4-10,21H,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile?
2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile is sourced from PubChem (CID 15228743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).