5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide

C29H32N4O3 — CID 118576863

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCNc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C29H32N4O3/c1-7-31-25-21(19-9-8-10-20(15-19)26(34)33-29(3,4)5)16-22-23(27(35)30-6)24(36-28(22)32-25)18-13-11-17(2)12-14-18/h8-16H,7H2,1-6H3,(H,30,35)(H,31,32)(H,33,34)
InChIKeyRBJYJAPRJOQTAS-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.79
Rot. Bonds6

About 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide

5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 118576863) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID118576863
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCNc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C29H32N4O3/c1-7-31-25-21(19-9-8-10-20(15-19)26(34)33-29(3,4)5)16-22-23(27(35)30-6)24(36-28(22)32-25)18-13-11-17(2)12-14-18/h8-16H,7H2,1-6H3,(H,30,35)(H,31,32)(H,33,34)
InChIKeyRBJYJAPRJOQTAS-UHFFFAOYSA-N
XLogP5.79
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide (CID 118576863) is 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide is CCNc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is RBJYJAPRJOQTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-7-31-25-21(19-9-8-10-20(15-19)26(34)33-29(3,4)5)16-22-23(27(35)30-6)24(36-28(22)32-25)18-13-11-17(2)12-14-18/h8-16H,7H2,1-6H3,(H,30,35)(H,31,32)(H,33,34).
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide?
5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 5.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118576863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).