2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide

C19H22N4O2 — CID 155214405

IUPAC2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide
SMILESCCc1nn(-c2cccc(C)c2)c2cc(NC(=O)C(N)CO)ccc12
InChIInChI=1S/C19H22N4O2/c1-3-17-15-8-7-13(21-19(25)16(20)11-24)10-18(15)23(22-17)14-6-4-5-12(2)9-14/h4-10,16,24H,3,11,20H2,1-2H3,(H,21,25)
InChIKeyMLWGBBVUGRIAEE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.15
Rot. Bonds5

About 2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide

2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide (PubChem CID 155214405) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide
PubChem CID155214405
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide
SMILESCCc1nn(-c2cccc(C)c2)c2cc(NC(=O)C(N)CO)ccc12
InChIInChI=1S/C19H22N4O2/c1-3-17-15-8-7-13(21-19(25)16(20)11-24)10-18(15)23(22-17)14-6-4-5-12(2)9-14/h4-10,16,24H,3,11,20H2,1-2H3,(H,21,25)
InChIKeyMLWGBBVUGRIAEE-UHFFFAOYSA-N
XLogP2.15
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2,3-diamino-N-[1-(3-methylphenyl)indazol-6-yl]propanamide;dihydrochloride
CID 164800166
2,4-diamino-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;dihydrochloride
CID 155214434
2-amino-N-[5-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide;hydrochloride
CID 175207719
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
(2S)-N-[4-fluoro-1-(3-methylphenyl)indazol-6-yl]-3-hydroxy-2-methylpropanamide
CID 165070582
(3S)-3-amino-4-hydroxy-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;sulfane;hydrochloride
CID 165104205
(2S,3S)-2-amino-3-hydroxy-N-[1-(3-methylphenyl)indazol-6-yl]butanamide;sulfane;hydrochloride
CID 164969015
[(2S)-2-amino-3-[[1-(3-methylphenyl)indazol-6-yl]amino]-3-oxopropyl] 3-(4-ethylpiperazin-1-yl)propanoate;methane;sulfane
CID 164994124
[1-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 155214408
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 119294783
[(2S)-4-hydroxy-1-[[1-(3-methylphenyl)indazol-6-yl]amino]-1-oxobutan-2-yl] carbamate
CID 175194363
[(2S)-2-amino-3-[[4-fluoro-1-(3-methylphenyl)indazol-6-yl]amino]-3-oxopropyl] octanoate;sulfane;hydrochloride
CID 165092925

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide?
The IUPAC name of 2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide (CID 155214405) is 2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide.
What is the SMILES notation for 2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide?
The canonical SMILES for 2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide is CCc1nn(-c2cccc(C)c2)c2cc(NC(=O)C(N)CO)ccc12.
What is the InChIKey of 2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide?
The InChIKey is MLWGBBVUGRIAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-17-15-8-7-13(21-19(25)16(20)11-24)10-18(15)23(22-17)14-6-4-5-12(2)9-14/h4-10,16,24H,3,11,20H2,1-2H3,(H,21,25).
What are the key properties of 2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide?
2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide has a molecular weight of 338.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-ethyl-1-(3-methylphenyl)indazol-6-yl]-3-hydroxypropanamide is sourced from PubChem (CID 155214405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).