N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide

C14H19N3O3 — CID 171883255

IUPACN-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cc2cn[nH]c2cc1C
InChIInChI=1S/C14H19N3O3/c1-8-5-12-10(7-16-17-12)6-11(8)14(20)13(19)3-4-15-9(2)18/h5-7,13-14,19-20H,3-4H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyJSLIEBLEIJHYJN-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.79
Rot. Bonds5

About N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide

N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide (PubChem CID 171883255) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide
PubChem CID171883255
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1cc2cn[nH]c2cc1C
InChIInChI=1S/C14H19N3O3/c1-8-5-12-10(7-16-17-12)6-11(8)14(20)13(19)3-4-15-9(2)18/h5-7,13-14,19-20H,3-4H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyJSLIEBLEIJHYJN-UHFFFAOYSA-N
XLogP0.79
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-dihydroxy-4-(1H-pyrazolo[4,5-b]pyridin-6-yl)butyl]acetamide
CID 171883227
N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide
CID 171882544
N-[3,4-dihydroxy-4-(1-oxo-2H-phthalazin-6-yl)butyl]acetamide
CID 171883814
N-[4-(4-bromo-2-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884118
2,3-dihydroxy-3-(6-methyl-1H-indazol-5-yl)propanenitrile
CID 171870436
N-[3,4-dihydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]butyl]acetamide
CID 171883561
N-[4-(5-cyano-2-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883104
N-[4-(2,4-dichloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882730
6-methyl-5-propan-2-yl-1H-indazole
CID 58371515
N-[4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171882852
N-[4-(6-amino-4-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882698
N-[4-(4-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882686

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide (CID 171883255) is N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide is CC(=O)NCCC(O)C(O)c1cc2cn[nH]c2cc1C.
What is the InChIKey of N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide?
The InChIKey is JSLIEBLEIJHYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-5-12-10(7-16-17-12)6-11(8)14(20)13(19)3-4-15-9(2)18/h5-7,13-14,19-20H,3-4H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide?
N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide is sourced from PubChem (CID 171883255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).