5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide

C18H14F3N3O3 — CID 5146216

IUPAC5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc(C(F)(F)F)cc3)oc12
InChIInChI=1S/C18H14F3N3O3/c1-9-15-13(10(8-25)7-23-9)6-14(16(22)26)17(27-15)24-12-4-2-11(3-5-12)18(19,20)21/h2-7,25H,8H2,1H3,(H2,22,26)/b24-17-
InChIKeyZNEIMXGVLKTAEI-ULJHMMPZSA-N
MW377.32 g/mol
LogP2.98
Rot. Bonds3

About 5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide

5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 5146216) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID5146216
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc(C(F)(F)F)cc3)oc12
InChIInChI=1S/C18H14F3N3O3/c1-9-15-13(10(8-25)7-23-9)6-14(16(22)26)17(27-15)24-12-4-2-11(3-5-12)18(19,20)21/h2-7,25H,8H2,1H3,(H2,22,26)/b24-17-
InChIKeyZNEIMXGVLKTAEI-ULJHMMPZSA-N
XLogP2.98
TPSA101.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
N-[4-methyl-3-[5-(trifluoromethyl)pyridin-3-yl]oxyphenyl]prop-2-enamide
CID 155344522
{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)-5-(hydroxymethyl)-8-methyl-2-(phenylimino)-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3244493
(2Z)-2-{[3-(aminocarbonyl)phenyl]imino}-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3444608
(2Z)-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-(phenylimino)-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3444611

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide (CID 5146216) is 5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide is Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc(C(F)(F)F)cc3)oc12.
What is the InChIKey of 5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is ZNEIMXGVLKTAEI-ULJHMMPZSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-9-15-13(10(8-25)7-23-9)6-14(16(22)26)17(27-15)24-12-4-2-11(3-5-12)18(19,20)21/h2-7,25H,8H2,1H3,(H2,22,26)/b24-17-.
What are the key properties of 5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide?
5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 2.98, 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-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5146216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).