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

C18H14F3N3O3 — CID 4608916

IUPAC5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
SMILES[H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3/c1-9-15-13(10(8-25)7-23-9)6-14(16(22)27-15)17(26)24-12-4-2-11(3-5-12)18(19,20)21/h2-7,22,25H,8H2,1H3,(H,24,26)/b22-16-
InChIKeyDWODALLWVXPJQA-JWGURIENSA-N
MW377.32 g/mol
LogP3.38
Rot. Bonds3

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

5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 4608916) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
PubChem CID4608916
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
SMILES[H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O3/c1-9-15-13(10(8-25)7-23-9)6-14(16(22)27-15)17(26)24-12-4-2-11(3-5-12)18(19,20)21/h2-7,22,25H,8H2,1H3,(H,24,26)/b22-16-
InChIKeyDWODALLWVXPJQA-JWGURIENSA-N
XLogP3.38
TPSA99.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
CID 22425489
N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 22425470
N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 22425475
methyl 4-[[5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carbonyl]amino]benzoate
CID 5077859
5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4280863
N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 46507644
2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
CID 4615110
5-(hydroxymethyl)-8-methyl-2-[4-(trifluoromethyl)phenyl]iminopyrano[2,3-c]pyridine-3-carboxamide
CID 5146216
5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 4611596
N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22425469
(2E)-N-(4-bromo-3-methylphenyl)-2-hydroxyimino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 136806736
N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142357

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide (CID 4608916) is 5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide is [H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is DWODALLWVXPJQA-JWGURIENSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-9-15-13(10(8-25)7-23-9)6-14(16(22)27-15)17(26)24-12-4-2-11(3-5-12)18(19,20)21/h2-7,22,25H,8H2,1H3,(H,24,26)/b22-16-.
What are the key properties of 5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?
5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-imino-8-methyl-N-[4-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4608916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).