N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C22H19N5O4 — CID 86887339

IUPACN-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C22H19N5O4/c1-13(23-22(30)19-17-7-2-3-8-18(17)26-27-19)20(28)24-15-5-4-6-16(11-15)25-21(29)14-9-10-31-12-14/h2-13H,1H3,(H,23,30)(H,24,28)(H,25,29)(H,26,27)
InChIKeyYXEIYSWMHGNKIB-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.17
Rot. Bonds6

About N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 86887339) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID86887339
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC NameN-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1
InChIInChI=1S/C22H19N5O4/c1-13(23-22(30)19-17-7-2-3-8-18(17)26-27-19)20(28)24-15-5-4-6-16(11-15)25-21(29)14-9-10-31-12-14/h2-13H,1H3,(H,23,30)(H,24,28)(H,25,29)(H,26,27)
InChIKeyYXEIYSWMHGNKIB-UHFFFAOYSA-N
XLogP3.17
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 86887339) is N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is CC(NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1cccc(NC(=O)c2ccoc2)c1.
What is the InChIKey of N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is YXEIYSWMHGNKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-13(23-22(30)19-17-7-2-3-8-18(17)26-27-19)20(28)24-15-5-4-6-16(11-15)25-21(29)14-9-10-31-12-14/h2-13H,1H3,(H,23,30)(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(furan-3-carbonylamino)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86887339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).