2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C19H19N3O3 — CID 3527925

IUPAC2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCOc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21
InChIInChI=1S/C19H19N3O3/c1-4-24-14-8-6-5-7-12(14)16-13(10-20)18(21)25-15-9-11(2)22(3)19(23)17(15)16/h5-9,16H,4,21H2,1-3H3
InChIKeyDUHYBUYIOGEWLH-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.31
Rot. Bonds3

About 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 3527925) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID3527925
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCOc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21
InChIInChI=1S/C19H19N3O3/c1-4-24-14-8-6-5-7-12(14)16-13(10-20)18(21)25-15-9-11(2)22(3)19(23)17(15)16/h5-9,16H,4,21H2,1-3H3
InChIKeyDUHYBUYIOGEWLH-UHFFFAOYSA-N
XLogP2.31
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(3,4-diethoxyphenyl)-6-(2-(dimethylamino)ethyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661803
5-amino-3-dodecyl-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299377
ethyl 6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
CID 660115
2-amino-4-(2,5-dimethoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661301
2-amino-4-(2,3-dimethoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661443
2-amino-4-(2,3-diethoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3777819
2-amino-4-(2-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 20421681
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 45855722
2-Amino-4-(2-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 2839006
(R)-2-amino-6-furfuryl-4-(o-methoxyphenyl)-7-methyl-5-oxo-1-oxa-6-aza-5,6-dihydro-4H-naphthalene-3-carbonitrile
CID 1874299
4-(2-ethoxyphenyl)-5-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 4112236
2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4893538

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 3527925) is 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCOc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21.
What is the InChIKey of 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is DUHYBUYIOGEWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-4-24-14-8-6-5-7-12(14)16-13(10-20)18(21)25-15-9-11(2)22(3)19(23)17(15)16/h5-9,16H,4,21H2,1-3H3.
What are the key properties of 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 3527925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).