N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide

C21H22N2O5 — CID 140545584

IUPACN-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide
SMILESCC1OC(=O)c2[nH]c(=O)c(C(=O)Nc3ccc(C4CCCCC4)cc3)c(O)c21
InChIInChI=1S/C21H22N2O5/c1-11-15-17(21(27)28-11)23-20(26)16(18(15)24)19(25)22-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyRUSAIDGOKIWPDZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.61
Rot. Bonds3

About N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide

N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide (PubChem CID 140545584) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide
PubChem CID140545584
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide
SMILESCC1OC(=O)c2[nH]c(=O)c(C(=O)Nc3ccc(C4CCCCC4)cc3)c(O)c21
InChIInChI=1S/C21H22N2O5/c1-11-15-17(21(27)28-11)23-20(26)16(18(15)24)19(25)22-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyRUSAIDGOKIWPDZ-UHFFFAOYSA-N
XLogP3.61
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide (CID 140545584) is N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide is CC1OC(=O)c2[nH]c(=O)c(C(=O)Nc3ccc(C4CCCCC4)cc3)c(O)c21.
What is the InChIKey of N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide?
The InChIKey is RUSAIDGOKIWPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-11-15-17(21(27)28-11)23-20(26)16(18(15)24)19(25)22-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide?
N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-4-hydroxy-5-methyl-2,7-dioxo-1,5-dihydrofuro[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 140545584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).