N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide

C24H23N5O2 — CID 122196199

IUPACN-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNC(=O)c1ccc(-c2cccc3[nH]nc(N)c23)cc1
InChIInChI=1S/C24H23N5O2/c1-15-5-2-3-6-18(15)24(31)27-14-13-26-23(30)17-11-9-16(10-12-17)19-7-4-8-20-21(19)22(25)29-28-20/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29)
InChIKeyCJZDHNAPSGIJPC-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.28
Rot. Bonds6

About N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide

N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide (PubChem CID 122196199) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide
PubChem CID122196199
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNC(=O)c1ccc(-c2cccc3[nH]nc(N)c23)cc1
InChIInChI=1S/C24H23N5O2/c1-15-5-2-3-6-18(15)24(31)27-14-13-26-23(30)17-11-9-16(10-12-17)19-7-4-8-20-21(19)22(25)29-28-20/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29)
InChIKeyCJZDHNAPSGIJPC-UHFFFAOYSA-N
XLogP3.28
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide (CID 122196199) is N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCNC(=O)c1ccc(-c2cccc3[nH]nc(N)c23)cc1.
What is the InChIKey of N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide?
The InChIKey is CJZDHNAPSGIJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-5-2-3-6-18(15)24(31)27-14-13-26-23(30)17-11-9-16(10-12-17)19-7-4-8-20-21(19)22(25)29-28-20/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29).
What are the key properties of N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide?
N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide has a molecular weight of 413.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methylbenzamide is sourced from PubChem (CID 122196199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).