2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide

C24H21FN3O3+ — CID 135498673

IUPAC2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2c(CO)c[nH+]c(C)c2o/c1=N\c1cccc(F)c1
InChIInChI=1S/C24H20FN3O3/c1-14-6-3-4-9-21(14)28-23(30)20-11-19-16(13-29)12-26-15(2)22(19)31-24(20)27-18-8-5-7-17(25)10-18/h3-12,29H,13H2,1-2H3,(H,28,30)/p+1/b27-24-
InChIKeyUPQIKRACYKIPMM-PNHLSOANSA-O
MW418.45 g/mol
LogP3.98
Rot. Bonds4

About 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide

2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide (PubChem CID 135498673) has the molecular formula C24H21FN3O3+ and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide
PubChem CID135498673
Molecular FormulaC24H21FN3O3+
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2c(CO)c[nH+]c(C)c2o/c1=N\c1cccc(F)c1
InChIInChI=1S/C24H20FN3O3/c1-14-6-3-4-9-21(14)28-23(30)20-11-19-16(13-29)12-26-15(2)22(19)31-24(20)27-18-8-5-7-17(25)10-18/h3-12,29H,13H2,1-2H3,(H,28,30)/p+1/b27-24-
InChIKeyUPQIKRACYKIPMM-PNHLSOANSA-O
XLogP3.98
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-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

5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide
CID 135471717
2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 3270511
ethyl 4-[[5-(hydroxymethyl)-3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methylpyrano[2,3-c]pyridin-7-ium-2-ylidene]amino]benzoate
CID 135505910
N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 5212498
5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
CID 3444611
N-(2-fluorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5233830
N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 24761612
N-(4-bromophenyl)-2-(4-fluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4139764
N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
CID 15999418
[2-(4-chlorophenyl)imino-3-[(3-fluorophenyl)carbamoyl]-8-methylpyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 4691861
N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22425488
N-(2-chlorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4618044

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide (CID 135498673) is 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide is Cc1ccccc1NC(=O)c1cc2c(CO)c[nH+]c(C)c2o/c1=N\c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide?
The InChIKey is UPQIKRACYKIPMM-PNHLSOANSA-O. The full InChI is InChI=1S/C24H20FN3O3/c1-14-6-3-4-9-21(14)28-23(30)20-11-19-16(13-29)12-26-15(2)22(19)31-24(20)27-18-8-5-7-17(25)10-18/h3-12,29H,13H2,1-2H3,(H,28,30)/p+1/b27-24-.
What are the key properties of 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide?
2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)pyrano[2,3-c]pyridin-7-ium-3-carboxamide is sourced from PubChem (CID 135498673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).