methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate

C18H20N2O5 — CID 14182559

IUPACmethyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(n1cccc(N)c1=O)C(O)C(C)(C)O2
InChIInChI=1S/C18H20N2O5/c1-18(2)15(21)14(20-8-4-5-12(19)16(20)22)11-9-10(17(23)24-3)6-7-13(11)25-18/h4-9,14-15,21H,19H2,1-3H3
InChIKeyCOPFGUZPTZXDEZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.34
Rot. Bonds2

About methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate

methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate (PubChem CID 14182559) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
PubChem CID14182559
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(n1cccc(N)c1=O)C(O)C(C)(C)O2
InChIInChI=1S/C18H20N2O5/c1-18(2)15(21)14(20-8-4-5-12(19)16(20)22)11-9-10(17(23)24-3)6-7-13(11)25-18/h4-9,14-15,21H,19H2,1-3H3
InChIKeyCOPFGUZPTZXDEZ-UHFFFAOYSA-N
XLogP1.34
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate with MolForge

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Related Compounds

methyl (3S,4R)-3-hydroxy-4-[(2S)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
CID 57158233
3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydrochromene-6-carbothioamide
CID 14182637
ethyl 4-(1-benzyl-2-oxo-3-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate;methyl 4-(1-benzyl-2-oxo-3-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate
CID 160563226
methyl 2,2-dimethyl-3-oxo-4-(2-oxo-1-pyridinyl)-4H-chromene-6-carboxylate
CID 14511159
4-(3-chloro-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
CID 22122943
1-[3-hydroxy-2,2-dimethyl-6-(3,4,5-trifluoro-2-methylbenzoyl)-3,4-dihydrochromen-4-yl]pyridin-2-one
CID 88527769
[1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(2,2,2-trifluoroacetyl)-3,4-dihydrochromen-4-yl]-2-pyridinylidene]cyanamide
CID 172797685
3-hydroxy-2,2-dimethyl-4-(3-nitro-2-oxo-1-pyridinyl)-3,4-dihydrochromene-6-carbonitrile
CID 14182577
(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromene-6-carboxamide;methane
CID 70578226
methyl (1S,9R)-10-(4-methoxycarbonylphenyl)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 51017554
(3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-oxoisoquinolin-2-yl)-3,4-dihydrochromene-6-carbonitrile
CID 14511072
methyl (1R,9R)-9-methyl-10-(4-methylphenyl)-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 7386362

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate?
The IUPAC name of methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate (CID 14182559) is methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate.
What is the SMILES notation for methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate?
The canonical SMILES for methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate is COC(=O)c1ccc2c(c1)C(n1cccc(N)c1=O)C(O)C(C)(C)O2.
What is the InChIKey of methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate?
The InChIKey is COPFGUZPTZXDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-18(2)15(21)14(20-8-4-5-12(19)16(20)22)11-9-10(17(23)24-3)6-7-13(11)25-18/h4-9,14-15,21H,19H2,1-3H3.
What are the key properties of methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate?
methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate is sourced from PubChem (CID 14182559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).