N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide

C17H17N3O — CID 110731205

IUPACN-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-12-4-2-3-5-13(12)7-9-17(21)19-15-8-6-14-11-18-20-16(14)10-15/h2-6,8,10-11H,7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyFHAZUCGQCPWMCN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds4

About N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide

N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide (PubChem CID 110731205) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
PubChem CID110731205
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-12-4-2-3-5-13(12)7-9-17(21)19-15-8-6-14-11-18-20-16(14)10-15/h2-6,8,10-11H,7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyFHAZUCGQCPWMCN-UHFFFAOYSA-N
XLogP3.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
CID 36563064
N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide
CID 155966917
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040
3-(4-fluorophenyl)-N-(1H-indazol-6-yl)propanamide
CID 36561610
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497
N-(1H-indazol-6-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110675279
5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
CID 82012714
3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166365205
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide
CID 110732701
3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166179582
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
CID 47030832
N-(1H-indazol-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768017

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide (CID 110731205) is N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide?
The InChIKey is FHAZUCGQCPWMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-4-2-3-5-13(12)7-9-17(21)19-15-8-6-14-11-18-20-16(14)10-15/h2-6,8,10-11H,7,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide?
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 110731205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).