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

C25H22N4O4 — CID 4691863

IUPAC2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C25H22N4O4/c1-14-6-8-18(9-7-14)28-24(32)21-11-20-17(13-30)12-27-15(2)22(20)33-25(21)29-19-5-3-4-16(10-19)23(26)31/h3-12,30H,13H2,1-2H3,(H2,26,31)(H,28,32)/b29-25-
InChIKeyLCSHZQCYUXMVOB-GNVQSUKOSA-N
MW442.48 g/mol
LogP3.52
Rot. Bonds5

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

2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 4691863) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
PubChem CID4691863
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C25H22N4O4/c1-14-6-8-18(9-7-14)28-24(32)21-11-20-17(13-30)12-27-15(2)22(20)33-25(21)29-19-5-3-4-16(10-19)23(26)31/h3-12,30H,13H2,1-2H3,(H2,26,31)(H,28,32)/b29-25-
InChIKeyLCSHZQCYUXMVOB-GNVQSUKOSA-N
XLogP3.52
TPSA130.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide (CID 4691863) is 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is LCSHZQCYUXMVOB-GNVQSUKOSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-14-6-8-18(9-7-14)28-24(32)21-11-20-17(13-30)12-27-15(2)22(20)33-25(21)29-19-5-3-4-16(10-19)23(26)31/h3-12,30H,13H2,1-2H3,(H2,26,31)(H,28,32)/b29-25-.
What are the key properties of 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoylphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4691863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).