anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide

C17H20N4O2 — CID 142520969

IUPACanisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc2[nH]ncc2c1.COc1ccccc1
InChIInChI=1S/C10H12N4O.C7H8O/c1-11-6-10(15)13-8-2-3-9-7(4-8)5-12-14-9;1-8-7-5-3-2-4-6-7/h2-5,11H,6H2,1H3,(H,12,14)(H,13,15);2-6H,1H3
InChIKeyXXIYMHWIIISVCX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.42
Rot. Bonds4

About anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide

anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide (PubChem CID 142520969) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide.

Molecular Properties

Compound Nameanisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide
PubChem CID142520969
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Nameanisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc2[nH]ncc2c1.COc1ccccc1
InChIInChI=1S/C10H12N4O.C7H8O/c1-11-6-10(15)13-8-2-3-9-7(4-8)5-12-14-9;1-8-7-5-3-2-4-6-7/h2-5,11H,6H2,1H3,(H,12,14)(H,13,15);2-6H,1H3
InChIKeyXXIYMHWIIISVCX-UHFFFAOYSA-N
XLogP2.42
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1H-indazol-5-yl)-2-(3-methoxyphenyl)acetamide
CID 169099717
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)acetamide
CID 36561093
N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide
CID 59729080
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
N-(1H-indazol-5-yl)-2-phenoxybenzamide
CID 117073693
2-(2-chlorophenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165269
4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
CID 18447148
2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165456
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82963463

Frequently Asked Questions

What is the IUPAC name of anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide?
The IUPAC name of anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide (CID 142520969) is anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide.
What is the SMILES notation for anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide?
The canonical SMILES for anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide is CNCC(=O)Nc1ccc2[nH]ncc2c1.COc1ccccc1.
What is the InChIKey of anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide?
The InChIKey is XXIYMHWIIISVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O.C7H8O/c1-11-6-10(15)13-8-2-3-9-7(4-8)5-12-14-9;1-8-7-5-3-2-4-6-7/h2-5,11H,6H2,1H3,(H,12,14)(H,13,15);2-6H,1H3.
What are the key properties of anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide?
anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;N-(1H-indazol-5-yl)-2-(methylamino)acetamide is sourced from PubChem (CID 142520969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).