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

C24H30N4O4 — CID 661803

IUPAC2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OCC
InChIInChI=1S/C24H30N4O4/c1-6-30-18-9-8-16(13-19(18)31-7-2)21-17(14-25)23(26)32-20-12-15(3)28(11-10-27(4)5)24(29)22(20)21/h8-9,12-13,21H,6-7,10-11,26H2,1-5H3
InChIKeyJEKGBAYDTURXDT-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.73
Rot. Bonds8

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

2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 661803) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID661803
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OCC
InChIInChI=1S/C24H30N4O4/c1-6-30-18-9-8-16(13-19(18)31-7-2)21-17(14-25)23(26)32-20-12-15(3)28(11-10-27(4)5)24(29)22(20)21/h8-9,12-13,21H,6-7,10-11,26H2,1-5H3
InChIKeyJEKGBAYDTURXDT-UHFFFAOYSA-N
XLogP2.73
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-4-(4-ethoxy-3-methoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3651160
6-Amino-8-[3-methoxy-4-(methylethoxy)phenyl]-2-methyl-1,2,3,7,8,8a-hexahydrois oquinoline-5,7,7-tricarbonitrile
CID 650713
7-Amino-5-(4-ethoxy-3-methoxyphenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 656373
2-amino-4-(3,4-diethoxyphenyl)-7-methyl-6-(2-morpholinoethyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661687
4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-2-methoxyphenyl morpholine-4-carboxylate
CID 3242926
2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23655239
ethyl 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
CID 660103
Ethyl 6-amino-8-(4-butoxy-3-methoxyphenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CID 660532
2-amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(tetrahydrofuran-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661873
2-Amino-7-methyl-6-[2-(4-morpholinyl)ethyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-C]pyridine-3-carbonitrile
CID 662014
2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 662066
2-amino-4-(1,3-benzodioxol-5-yl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 665921

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 661803) is 2-amino-4-(3,4-diethoxyphenyl)-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-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OCC.
What is the InChIKey of 2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is JEKGBAYDTURXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-6-30-18-9-8-16(13-19(18)31-7-2)21-17(14-25)23(26)32-20-12-15(3)28(11-10-27(4)5)24(29)22(20)21/h8-9,12-13,21H,6-7,10-11,26H2,1-5H3.
What are the key properties of 2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 438.53 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-diethoxyphenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 661803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).