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

C26H25N3O4 — CID 5057442

IUPAC2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
SMILESCCOc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C26H25N3O4/c1-4-32-21-10-8-19(9-11-21)29-26-23(25(31)28-20-7-5-6-16(2)12-20)13-22-18(15-30)14-27-17(3)24(22)33-26/h5-14,30H,4,15H2,1-3H3,(H,28,31)/b29-26-
InChIKeyWDNKHWOVZWEHSH-WCTVFOPTSA-N
MW443.50 g/mol
LogP4.82
Rot. Bonds6

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

2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 5057442) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
PubChem CID5057442
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
SMILESCCOc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C26H25N3O4/c1-4-32-21-10-8-19(9-11-21)29-26-23(25(31)28-20-7-5-6-16(2)12-20)13-22-18(15-30)14-27-17(3)24(22)33-26/h5-14,30H,4,15H2,1-3H3,(H,28,31)/b29-26-
InChIKeyWDNKHWOVZWEHSH-WCTVFOPTSA-N
XLogP4.82
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 3270511
2-(4-chlorophenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5218954
N-(3,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-(4-phenoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 53337890
N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
CID 15999418
methyl 4-[[2-(4-ethoxycarbonylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carbonyl]amino]benzoate
CID 5077861
methyl 4-[[5-(hydroxymethyl)-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridine-3-carbonyl]amino]benzoate
CID 3411454
N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 5212498
N-(4-bromophenyl)-2-(4-fluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4139764
N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 24761612
2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 4691863
[2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 4608915
5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 4611596

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide (CID 5057442) is 2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide is CCOc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is WDNKHWOVZWEHSH-WCTVFOPTSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-4-32-21-10-8-19(9-11-21)29-26-23(25(31)28-20-7-5-6-16(2)12-20)13-22-18(15-30)14-27-17(3)24(22)33-26/h5-14,30H,4,15H2,1-3H3,(H,28,31)/b29-26-.
What are the key properties of 2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5057442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).