4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide

C21H19N3O3 — CID 118069716

IUPAC4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(Oc3ccnc(-c4ccc[nH]4)c3)c2)OCC1
InChIInChI=1S/C21H19N3O3/c1-14-8-11-26-20(14)21(25)24-15-4-2-5-16(12-15)27-17-7-10-23-19(13-17)18-6-3-9-22-18/h2-7,9-10,12-13,22H,8,11H2,1H3,(H,24,25)
InChIKeyXRPKTIWKGBKRRL-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.50
Rot. Bonds5

About 4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide

4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide (PubChem CID 118069716) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide
PubChem CID118069716
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(Oc3ccnc(-c4ccc[nH]4)c3)c2)OCC1
InChIInChI=1S/C21H19N3O3/c1-14-8-11-26-20(14)21(25)24-15-4-2-5-16(12-15)27-17-7-10-23-19(13-17)18-6-3-9-22-18/h2-7,9-10,12-13,22H,8,11H2,1H3,(H,24,25)
InChIKeyXRPKTIWKGBKRRL-UHFFFAOYSA-N
XLogP4.50
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide (CID 118069716) is 4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide is CC1=C(C(=O)Nc2cccc(Oc3ccnc(-c4ccc[nH]4)c3)c2)OCC1.
What is the InChIKey of 4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide?
The InChIKey is XRPKTIWKGBKRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-8-11-26-20(14)21(25)24-15-4-2-5-16(12-15)27-17-7-10-23-19(13-17)18-6-3-9-22-18/h2-7,9-10,12-13,22H,8,11H2,1H3,(H,24,25).
What are the key properties of 4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide?
4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[[2-(1H-pyrrol-2-yl)-4-pyridinyl]oxy]phenyl]-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 118069716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).