3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide

C18H18N4O2 — CID 24856180

IUPAC3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide
SMILESCc1ccc(C(=O)c2c3ccc(N)cc3nn2CCC(N)=O)cc1
InChIInChI=1S/C18H18N4O2/c1-11-2-4-12(5-3-11)18(24)17-14-7-6-13(19)10-15(14)21-22(17)9-8-16(20)23/h2-7,10H,8-9,19H2,1H3,(H2,20,23)
InChIKeyHRENGHMVHWWPNP-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.03
Rot. Bonds5

About 3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide

3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide (PubChem CID 24856180) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide
PubChem CID24856180
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide
SMILESCc1ccc(C(=O)c2c3ccc(N)cc3nn2CCC(N)=O)cc1
InChIInChI=1S/C18H18N4O2/c1-11-2-4-12(5-3-11)18(24)17-14-7-6-13(19)10-15(14)21-22(17)9-8-16(20)23/h2-7,10H,8-9,19H2,1H3,(H2,20,23)
InChIKeyHRENGHMVHWWPNP-UHFFFAOYSA-N
XLogP2.03
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
CID 117650402
Adb-fubinaca
CID 58124399
App-butinaca
CID 154735174
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86280478
Adb-chminaca
CID 68894304

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide?
The IUPAC name of 3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide (CID 24856180) is 3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide.
What is the SMILES notation for 3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide?
The canonical SMILES for 3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide is Cc1ccc(C(=O)c2c3ccc(N)cc3nn2CCC(N)=O)cc1.
What is the InChIKey of 3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide?
The InChIKey is HRENGHMVHWWPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-2-4-12(5-3-11)18(24)17-14-7-6-13(19)10-15(14)21-22(17)9-8-16(20)23/h2-7,10H,8-9,19H2,1H3,(H2,20,23).
What are the key properties of 3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide?
3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-3-(4-methylbenzoyl)indazol-2-yl]propanamide is sourced from PubChem (CID 24856180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).