5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide

C17H15N3O3 — CID 3244493

IUPAC5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccccc3)oc12
InChIInChI=1S/C17H15N3O3/c1-10-15-13(11(9-21)8-19-10)7-14(16(18)22)17(23-15)20-12-5-3-2-4-6-12/h2-8,21H,9H2,1H3,(H2,18,22)/b20-17-
InChIKeyLUHNFFOVRBLDBW-JZJYNLBNSA-N
MW309.32 g/mol
LogP1.96
Rot. Bonds3

About 5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide

5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 3244493) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID3244493
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccccc3)oc12
InChIInChI=1S/C17H15N3O3/c1-10-15-13(11(9-21)8-19-10)7-14(16(18)22)17(23-15)20-12-5-3-2-4-6-12/h2-8,21H,9H2,1H3,(H2,18,22)/b20-17-
InChIKeyLUHNFFOVRBLDBW-JZJYNLBNSA-N
XLogP1.96
TPSA101.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Mls002703986
CID 267824
(2Z)-2-[(2,5-diethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3238242
(2Z)-2-[(3,4-dimethoxyphenyl)imino]-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3444613
(2Z)-5-(hydroxymethyl)-2-[(3-methoxyphenyl)imino]-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 4095163
(2Z)-5-(hydroxymethyl)-8-methyl-2-[(3,4,5-trimethoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 4390920
(2Z)-2-[(3,5-dimethoxyphenyl)imino]-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 4649186
{3-[(3-Fluorophenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-C]pyridin-5-YL}methyl acetate
CID 16028072
7-(3-fluoro-4-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylamino)phenoxy)-N-hydroxyheptanamide
CID 44418189
N-hydroxy-7-(4-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylamino)phenoxy)heptanamide
CID 44418238
{3-[(4-Ethylphenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-C]pyridin-5-YL}methyl propanoate
CID 16028084
(8-Methyl-2-oxo-3-{[2-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-C]pyridin-5-YL)methyl 2-methylpropanoate
CID 16028086
(2Z)-2-{[3-(aminocarbonyl)phenyl]imino}-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3444608

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide (CID 3244493) is 5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide is Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccccc3)oc12.
What is the InChIKey of 5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is LUHNFFOVRBLDBW-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-15-13(11(9-21)8-19-10)7-14(16(18)22)17(23-15)20-12-5-3-2-4-6-12/h2-8,21H,9H2,1H3,(H2,18,22)/b20-17-.
What are the key properties of 5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide?
5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3244493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).