2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate

C20H24N2O5 — CID 655935

IUPAC2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate
SMILESCOCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1
InChIInChI=1S/C20H24N2O5/c1-20(2)9-13(23)16-14(10-20)27-18(21)17(19(24)26-8-7-25-3)15(16)12-5-4-6-22-11-12/h4-6,11,15H,7-10,21H2,1-3H3
InChIKeyNUYXXLBQLZMIPW-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.20
Rot. Bonds5

About 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate

2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate (PubChem CID 655935) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate
PubChem CID655935
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate
SMILESCOCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1
InChIInChI=1S/C20H24N2O5/c1-20(2)9-13(23)16-14(10-20)27-18(21)17(19(24)26-8-7-25-3)15(16)12-5-4-6-22-11-12/h4-6,11,15H,7-10,21H2,1-3H3
InChIKeyNUYXXLBQLZMIPW-UHFFFAOYSA-N
XLogP2.20
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Diethyl 1',4'-dihydro-2',6'-dimethyl-(3,4'-bipyridine)-3',5'-dicarboxylate
CID 100279
6-Amino-5-cyano-2-phenyl-4-pyridin-3-YL-4H-pyran-3-carboxylic acid ethyl ester
CID 3156232
Dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
CID 782061
2-Amino-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 612574
2-methoxyethyl 2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 655012
diethyl 2-amino-6-methyl-4-(pyridin-3-yl)-4H-pyran-3,5-dicarboxylate
CID 658707
2-amino-7-methyl-5-oxo-6-(2-phenylethyl)-4-(3-pyridinyl)-4H-pyrano[3,2-c]pyridine-3-carboxylic acid methyl ester
CID 661975
Diethyl 1',2',6'-trimethyl-1',4'-dihydro-3,4'-bipyridine-3',5'-dicarboxylate
CID 758229
Tetrahydrofuran-2-ylmethyl 2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2863506
Tetrahydro-2-furanylmethyl 2,7,7-trimethyl-5-oxo-4-(4-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
CID 2864661
2-(Propan-2-yloxy)ethyl 2-methyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3138773
2,7,7-Trimethyl-5-oxo-4-pyridin-3-yl-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid 2-methoxy-ethyl ester
CID 646180

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate?
The IUPAC name of 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate (CID 655935) is 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate is COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1.
What is the InChIKey of 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate?
The InChIKey is NUYXXLBQLZMIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-20(2)9-13(23)16-14(10-20)27-18(21)17(19(24)26-8-7-25-3)15(16)12-5-4-6-22-11-12/h4-6,11,15H,7-10,21H2,1-3H3.
What are the key properties of 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate?
2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate is sourced from PubChem (CID 655935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).