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

C26H24N4O6 — CID 15955914

IUPAC2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(C(N)=O)cc2)cc(OC)c1
InChIInChI=1S/C26H24N4O6/c1-14-23-21(16(13-31)12-28-14)11-22(25(33)29-18-8-19(34-2)10-20(9-18)35-3)26(36-23)30-17-6-4-15(5-7-17)24(27)32/h4-12,31H,13H2,1-3H3,(H2,27,32)(H,29,33)/b30-26-
InChIKeyGXCOLIXQPNXNFU-BXVZCJGGSA-N
MW488.50 g/mol
LogP3.23
Rot. Bonds7

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

2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 15955914) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is 2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID15955914
Molecular FormulaC26H24N4O6
Molecular Weight488.50 g/mol
Exact Mass488.17
IUPAC Name2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(C(N)=O)cc2)cc(OC)c1
InChIInChI=1S/C26H24N4O6/c1-14-23-21(16(13-31)12-28-14)11-22(25(33)29-18-8-19(34-2)10-20(9-18)35-3)26(36-23)30-17-6-4-15(5-7-17)24(27)32/h4-12,31H,13H2,1-3H3,(H2,27,32)(H,29,33)/b30-26-
InChIKeyGXCOLIXQPNXNFU-BXVZCJGGSA-N
XLogP3.23
TPSA149.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 15955914) is 2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is COc1cc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(C(N)=O)cc2)cc(OC)c1.
What is the InChIKey of 2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is GXCOLIXQPNXNFU-BXVZCJGGSA-N. The full InChI is InChI=1S/C26H24N4O6/c1-14-23-21(16(13-31)12-28-14)11-22(25(33)29-18-8-19(34-2)10-20(9-18)35-3)26(36-23)30-17-6-4-15(5-7-17)24(27)32/h4-12,31H,13H2,1-3H3,(H2,27,32)(H,29,33)/b30-26-.
What are the key properties of 2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 488.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 15955914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).