N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide

C26H25N3O3 — CID 5212498

IUPACN-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cccc(C)c1
InChIInChI=1S/C26H25N3O3/c1-4-18-9-5-6-11-23(18)29-25(31)22-13-21-19(15-30)14-27-17(3)24(21)32-26(22)28-20-10-7-8-16(2)12-20/h5-14,30H,4,15H2,1-3H3,(H,29,31)/b28-26-
InChIKeyWZEPQWZXCUOFGL-SGEDCAFJSA-N
MW427.50 g/mol
LogP4.98
Rot. Bonds5

About N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide

N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 5212498) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID5212498
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cccc(C)c1
InChIInChI=1S/C26H25N3O3/c1-4-18-9-5-6-11-23(18)29-25(31)22-13-21-19(15-30)14-27-17(3)24(21)32-26(22)28-20-10-7-8-16(2)12-20/h5-14,30H,4,15H2,1-3H3,(H,29,31)/b28-26-
InChIKeyWZEPQWZXCUOFGL-SGEDCAFJSA-N
XLogP4.98
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 24761612
2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 3270511
2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 5057442
5-(hydroxymethyl)-8-methyl-N-(2-methylphenyl)-2-(3-methylphenyl)iminopyrano[2,3-c]pyridin-7-ium-3-carboxamide
CID 135471717
N-(2-chlorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4618044
N-(2-fluorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5233830
N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 15955916
2-(3-chloro-4-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 5063502
[2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 4608915
N-(4-bromophenyl)-2-(4-fluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4139764
2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
CID 4615110
methyl 4-[[2-(4-ethoxycarbonylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carbonyl]amino]benzoate
CID 5077861

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide (CID 5212498) is N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide is CCc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cccc(C)c1.
What is the InChIKey of N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is WZEPQWZXCUOFGL-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-4-18-9-5-6-11-23(18)29-25(31)22-13-21-19(15-30)14-27-17(3)24(21)32-26(22)28-20-10-7-8-16(2)12-20/h5-14,30H,4,15H2,1-3H3,(H,29,31)/b28-26-.
What are the key properties of N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5212498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).