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

C18H14F3N3O3 — CID 22425489

IUPAC5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
SMILES[H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O3/c1-9-15-11(10(8-25)7-23-9)6-12(16(22)27-15)17(26)24-14-5-3-2-4-13(14)18(19,20)21/h2-7,22,25H,8H2,1H3,(H,24,26)/b22-16-
InChIKeySUDJMZDHPOBZPT-JWGURIENSA-N
MW377.32 g/mol
LogP3.38
Rot. Bonds3

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

5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 22425489) 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-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
PubChem CID22425489
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
SMILES[H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O3/c1-9-15-11(10(8-25)7-23-9)6-12(16(22)27-15)17(26)24-14-5-3-2-4-13(14)18(19,20)21/h2-7,22,25H,8H2,1H3,(H,24,26)/b22-16-
InChIKeySUDJMZDHPOBZPT-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-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4280863
N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 5212498
N-(2-fluorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5233830
5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 4611596
N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 4088801
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690
8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide
CID 19574031
6-(methylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 62186448
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
N-(4-bromophenyl)-2-(4-fluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4139764
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide (CID 22425489) is 5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide is [H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is SUDJMZDHPOBZPT-JWGURIENSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-9-15-11(10(8-25)7-23-9)6-12(16(22)27-15)17(26)24-14-5-3-2-4-13(14)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-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?
5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(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-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 22425489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).