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

C25H22N4O5 — CID 3444608

IUPAC2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cccc(C(N)=O)c1
InChIInChI=1S/C25H22N4O5/c1-14-22-18(16(13-30)12-27-14)11-19(24(32)29-20-8-3-4-9-21(20)33-2)25(34-22)28-17-7-5-6-15(10-17)23(26)31/h3-12,30H,13H2,1-2H3,(H2,26,31)(H,29,32)/b28-25-
InChIKeyPEQMQASAJIFCKJ-FVDSYPCUSA-N
MW458.47 g/mol
LogP3.22
Rot. Bonds6

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

2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 3444608) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID3444608
Molecular FormulaC25H22N4O5
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC Name2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cccc(C(N)=O)c1
InChIInChI=1S/C25H22N4O5/c1-14-22-18(16(13-30)12-27-14)11-19(24(32)29-20-8-3-4-9-21(20)33-2)25(34-22)28-17-7-5-6-15(10-17)23(26)31/h3-12,30H,13H2,1-2H3,(H2,26,31)(H,29,32)/b28-25-
InChIKeyPEQMQASAJIFCKJ-FVDSYPCUSA-N
XLogP3.22
TPSA140.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 3444608) is 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is COc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cccc(C(N)=O)c1.
What is the InChIKey of 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is PEQMQASAJIFCKJ-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-14-22-18(16(13-30)12-27-14)11-19(24(32)29-20-8-3-4-9-21(20)33-2)25(34-22)28-17-7-5-6-15(10-17)23(26)31/h3-12,30H,13H2,1-2H3,(H2,26,31)(H,29,32)/b28-25-.
What are the key properties of 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 458.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3444608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).