2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C20H20Cl2N4O2 — CID 3821803

IUPAC2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCN(C)C)C(c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C20H20Cl2N4O2/c1-11-8-16-18(20(27)26(11)7-6-25(2)3)17(14(10-23)19(24)28-16)13-5-4-12(21)9-15(13)22/h4-5,8-9,17H,6-7,24H2,1-3H3
InChIKeyIAGWGMAWTGACMO-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.24
Rot. Bonds4

About 2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 3821803) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID3821803
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCN(C)C)C(c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2
InChIInChI=1S/C20H20Cl2N4O2/c1-11-8-16-18(20(27)26(11)7-6-25(2)3)17(14(10-23)19(24)28-16)13-5-4-12(21)9-15(13)22/h4-5,8-9,17H,6-7,24H2,1-3H3
InChIKeyIAGWGMAWTGACMO-UHFFFAOYSA-N
XLogP3.24
TPSA84.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 3821803) is 2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is IAGWGMAWTGACMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-11-8-16-18(20(27)26(11)7-6-25(2)3)17(14(10-23)19(24)28-16)13-5-4-12(21)9-15(13)22/h4-5,8-9,17H,6-7,24H2,1-3H3.
What are the key properties of 2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 419.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 3821803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).