2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile

C19H20N4O — CID 658614

IUPAC2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile
SMILESCCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccnc1
InChIInChI=1S/C19H20N4O/c1-3-23(4-2)14-7-8-15-17(10-14)24-19(21)16(11-20)18(15)13-6-5-9-22-12-13/h5-10,12,18H,3-4,21H2,1-2H3
InChIKeyWDOIQXLSUHZAMD-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.15
Rot. Bonds4

About 2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile

2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile (PubChem CID 658614) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile
PubChem CID658614
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile
SMILESCCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccnc1
InChIInChI=1S/C19H20N4O/c1-3-23(4-2)14-7-8-15-17(10-14)24-19(21)16(11-20)18(15)13-6-5-9-22-12-13/h5-10,12,18H,3-4,21H2,1-2H3
InChIKeyWDOIQXLSUHZAMD-UHFFFAOYSA-N
XLogP3.15
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile (CID 658614) is 2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile is CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccnc1.
What is the InChIKey of 2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
The InChIKey is WDOIQXLSUHZAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-23(4-2)14-7-8-15-17(10-14)24-19(21)16(11-20)18(15)13-6-5-9-22-12-13/h5-10,12,18H,3-4,21H2,1-2H3.
What are the key properties of 2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile?
2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(diethylamino)-4-pyridin-3-yl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 658614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).