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

C18H20N2O4 — CID 647097

IUPACmethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate
SMILESCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1
InChIInChI=1S/C18H20N2O4/c1-18(2)7-11(21)14-12(8-18)24-16(19)15(17(22)23-3)13(14)10-5-4-6-20-9-10/h4-6,9,13H,7-8,19H2,1-3H3
InChIKeyRJQUOIJAURTDOC-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.18
Rot. Bonds2

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

methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate (PubChem CID 647097) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate
PubChem CID647097
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate
SMILESCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1
InChIInChI=1S/C18H20N2O4/c1-18(2)7-11(21)14-12(8-18)24-16(19)15(17(22)23-3)13(14)10-5-4-6-20-9-10/h4-6,9,13H,7-8,19H2,1-3H3
InChIKeyRJQUOIJAURTDOC-UHFFFAOYSA-N
XLogP2.18
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 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
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
2-methoxyethyl 2-amino-7,7-dimethyl-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CID 655935
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 methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate?
The IUPAC name of methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate (CID 647097) is methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate?
The canonical SMILES for methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate is COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1.
What is the InChIKey of methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate?
The InChIKey is RJQUOIJAURTDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-18(2)7-11(21)14-12(8-18)24-16(19)15(17(22)23-3)13(14)10-5-4-6-20-9-10/h4-6,9,13H,7-8,19H2,1-3H3.
What are the key properties of methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate?
methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carboxylate is sourced from PubChem (CID 647097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).