2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide

C16H16N4O — CID 106591003

IUPAC2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide
SMILESCC(C(=O)Nc1cccc2[nH]ncc12)c1cccc(N)c1
InChIInChI=1S/C16H16N4O/c1-10(11-4-2-5-12(17)8-11)16(21)19-14-6-3-7-15-13(14)9-18-20-15/h2-10H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyFRCZOAPIKSCVOL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.89
Rot. Bonds3

About 2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide

2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide (PubChem CID 106591003) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide
PubChem CID106591003
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide
SMILESCC(C(=O)Nc1cccc2[nH]ncc12)c1cccc(N)c1
InChIInChI=1S/C16H16N4O/c1-10(11-4-2-5-12(17)8-11)16(21)19-14-6-3-7-15-13(14)9-18-20-15/h2-10H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyFRCZOAPIKSCVOL-UHFFFAOYSA-N
XLogP2.89
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide
CID 76887328
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
2-[2-(3-aminophenyl)propanoylamino]benzamide
CID 106590933
6-amino-N-(1H-indazol-4-yl)-2-methylheptanamide
CID 65290576
2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290057
2-amino-N-(1H-indazol-4-yl)-4-methoxybutanamide
CID 55080535
4-amino-N-(1H-indazol-4-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075734
N-(1H-indazol-4-yl)propanamide
CID 61035756
2-(2-aminophenyl)-N-(1H-indazol-4-yl)acetamide
CID 61117193
(2S)-2-(1H-indazol-4-ylamino)propanoic acid
CID 175797922
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide (CID 106591003) is 2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide is CC(C(=O)Nc1cccc2[nH]ncc12)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide?
The InChIKey is FRCZOAPIKSCVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10(11-4-2-5-12(17)8-11)16(21)19-14-6-3-7-15-13(14)9-18-20-15/h2-10H,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide?
2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(1H-indazol-4-yl)propanamide is sourced from PubChem (CID 106591003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).