2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide

C26H25N3O6 — CID 4649186

IUPAC2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C26H25N3O6/c1-15-24-22(16(14-30)13-27-15)12-23(25(31)28-17-5-7-19(32-2)8-6-17)26(35-24)29-18-9-20(33-3)11-21(10-18)34-4/h5-13,30H,14H2,1-4H3,(H,28,31)/b29-26-
InChIKeyBFUMDIDWLIQRLW-WCTVFOPTSA-N
MW475.50 g/mol
LogP4.14
Rot. Bonds7

About 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide

2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 4649186) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID4649186
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C26H25N3O6/c1-15-24-22(16(14-30)13-27-15)12-23(25(31)28-17-5-7-19(32-2)8-6-17)26(35-24)29-18-9-20(33-3)11-21(10-18)34-4/h5-13,30H,14H2,1-4H3,(H,28,31)/b29-26-
InChIKeyBFUMDIDWLIQRLW-WCTVFOPTSA-N
XLogP4.14
TPSA115.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2Z)-2-[(2,5-diethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3238242
(2Z)-2-[(3,4-dimethoxyphenyl)imino]-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3444613
(2Z)-5-(hydroxymethyl)-2-[(3-methoxyphenyl)imino]-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 4095163
(2Z)-5-(hydroxymethyl)-8-methyl-2-[(3,4,5-trimethoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 4390920
3-[((2Z)-5-[(acetyloxy)methyl]-3-{[(2,4-dimethoxyphenyl)amino]carbonyl}-8-methyl-2H-pyrano[2,3-c]pyridin-2-ylidene)amino]benzoic acid
CID 4413344
1-(2-hydroxy-6-methoxybenzyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24790248
N-(3-hydroxyphenyl)-2-(pyridin-2-ylmethoxy)-4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 56679001
(2Z)-2-{[3-(aminocarbonyl)phenyl]imino}-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 16002908
(2Z)-5-(hydroxymethyl)-8-methyl-2-(phenylimino)-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3244493
(2Z)-2-{[3-(aminocarbonyl)phenyl]imino}-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3444608
(2Z)-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-(phenylimino)-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3444611
(2Z)-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-[(3,4,5-trimethoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 4432641

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 4649186) is 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is BFUMDIDWLIQRLW-WCTVFOPTSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-15-24-22(16(14-30)13-27-15)12-23(25(31)28-17-5-7-19(32-2)8-6-17)26(35-24)29-18-9-20(33-3)11-21(10-18)34-4/h5-13,30H,14H2,1-4H3,(H,28,31)/b29-26-.
What are the key properties of 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4649186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).