methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate

C17H14N2O4 — CID 137257798

IUPACmethyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C17H14N2O4/c1-9-8-11-13(16(20)19-9)12(10-6-4-3-5-7-10)14(15(18)23-11)17(21)22-2/h3-8,18H,1-2H3,(H,19,20)/b18-15-
InChIKeyNSPWSLKXKDPJDO-SDXDJHTJSA-N
MW310.31 g/mol
LogP2.36
Rot. Bonds2

About methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate

methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 137257798) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID137257798
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Namemethyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C17H14N2O4/c1-9-8-11-13(16(20)19-9)12(10-6-4-3-5-7-10)14(15(18)23-11)17(21)22-2/h3-8,18H,1-2H3,(H,19,20)/b18-15-
InChIKeyNSPWSLKXKDPJDO-SDXDJHTJSA-N
XLogP2.36
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187491
4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187598
3-Benzyl-5-ethoxycarbonyl-4-hydroxy-6-methyLpyridin-2(1H)-on
CID 54705933
methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257805
4-(3-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137259025
4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137267851
4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137294235
4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187432
4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317033
4-benzyl-6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 60164471
[6-(2-methylpropyl)-2-oxo-3-phenyl-1H-pyridin-4-yl] acetate
CID 90220599
methyl 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257799

Frequently Asked Questions

What is the IUPAC name of methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate (CID 137257798) is methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate is [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccccc2)c1C(=O)OC.
What is the InChIKey of methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is NSPWSLKXKDPJDO-SDXDJHTJSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-9-8-11-13(16(20)19-9)12(10-6-4-3-5-7-10)14(15(18)23-11)17(21)22-2/h3-8,18H,1-2H3,(H,19,20)/b18-15-.
What are the key properties of methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 137257798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).