N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide

C16H17N3O3 — CID 2811420

IUPACN-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCOc1cccc2c1c(NC(=O)c1cc(C)oc1C)nn2C
InChIInChI=1S/C16H17N3O3/c1-9-8-11(10(2)22-9)16(20)17-15-14-12(19(3)18-15)6-5-7-13(14)21-4/h5-8H,1-4H3,(H,17,18,20)
InChIKeyPMOOVYCFIZFVLO-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.04
Rot. Bonds3

About N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide

N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 2811420) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID2811420
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCOc1cccc2c1c(NC(=O)c1cc(C)oc1C)nn2C
InChIInChI=1S/C16H17N3O3/c1-9-8-11(10(2)22-9)16(20)17-15-14-12(19(3)18-15)6-5-7-13(14)21-4/h5-8H,1-4H3,(H,17,18,20)
InChIKeyPMOOVYCFIZFVLO-UHFFFAOYSA-N
XLogP3.04
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide (CID 2811420) is N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide is COc1cccc2c1c(NC(=O)c1cc(C)oc1C)nn2C.
What is the InChIKey of N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is PMOOVYCFIZFVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-8-11(10(2)22-9)16(20)17-15-14-12(19(3)18-15)6-5-7-13(14)21-4/h5-8H,1-4H3,(H,17,18,20).
What are the key properties of N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2811420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).