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

C20H21FN4O2 — CID 3457057

IUPAC2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCN(C)C)C(c1cccc(F)c1)C(C#N)=C(N)O2
InChIInChI=1S/C20H21FN4O2/c1-12-9-16-18(20(26)25(12)8-7-24(2)3)17(15(11-22)19(23)27-16)13-5-4-6-14(21)10-13/h4-6,9-10,17H,7-8,23H2,1-3H3
InChIKeyUCFRXXFVQHYRTM-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.08
Rot. Bonds4

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

2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 3457057) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID3457057
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CCN(C)C)C(c1cccc(F)c1)C(C#N)=C(N)O2
InChIInChI=1S/C20H21FN4O2/c1-12-9-16-18(20(26)25(12)8-7-24(2)3)17(15(11-22)19(23)27-16)13-5-4-6-14(21)10-13/h4-6,9-10,17H,7-8,23H2,1-3H3
InChIKeyUCFRXXFVQHYRTM-UHFFFAOYSA-N
XLogP2.08
TPSA84.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 3457057) is 2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CCN(C)C)C(c1cccc(F)c1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is UCFRXXFVQHYRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12-9-16-18(20(26)25(12)8-7-24(2)3)17(15(11-22)19(23)27-16)13-5-4-6-14(21)10-13/h4-6,9-10,17H,7-8,23H2,1-3H3.
What are the key properties of 2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 368.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(dimethylamino)ethyl]-4-(3-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 3457057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).