5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile

C16H15N3O — CID 81136671

IUPAC5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile
SMILESCNc1nc2c(cc1C#N)C(C)(C)Oc1ccccc1-2
InChIInChI=1S/C16H15N3O/c1-16(2)12-8-10(9-17)15(18-3)19-14(12)11-6-4-5-7-13(11)20-16/h4-8H,1-3H3,(H,18,19)
InChIKeyGSMTXMQGNNUHLY-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.29
Rot. Bonds1

About 5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile

5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile (PubChem CID 81136671) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile
PubChem CID81136671
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile
SMILESCNc1nc2c(cc1C#N)C(C)(C)Oc1ccccc1-2
InChIInChI=1S/C16H15N3O/c1-16(2)12-8-10(9-17)15(18-3)19-14(12)11-6-4-5-7-13(11)20-16/h4-8H,1-3H3,(H,18,19)
InChIKeyGSMTXMQGNNUHLY-UHFFFAOYSA-N
XLogP3.29
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile (CID 81136671) is 5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile is CNc1nc2c(cc1C#N)C(C)(C)Oc1ccccc1-2.
What is the InChIKey of 5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile?
The InChIKey is GSMTXMQGNNUHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-16(2)12-8-10(9-17)15(18-3)19-14(12)11-6-4-5-7-13(11)20-16/h4-8H,1-3H3,(H,18,19).
What are the key properties of 5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile?
5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(methylamino)chromeno[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 81136671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).