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

C24H23N5O3 — CID 122196202

IUPACN-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)c1ccc(-c2cccc3[nH]nc(N)c23)cc1
InChIInChI=1S/C24H23N5O3/c1-32-20-8-3-2-5-18(20)24(31)27-14-13-26-23(30)16-11-9-15(10-12-16)17-6-4-7-19-21(17)22(25)29-28-19/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29)
InChIKeyBNQMUNINUMWZQI-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.98
Rot. Bonds7

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

N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide (PubChem CID 122196202) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide
PubChem CID122196202
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)c1ccc(-c2cccc3[nH]nc(N)c23)cc1
InChIInChI=1S/C24H23N5O3/c1-32-20-8-3-2-5-18(20)24(31)27-14-13-26-23(30)16-11-9-15(10-12-16)17-6-4-7-19-21(17)22(25)29-28-19/h2-12H,13-14H2,1H3,(H,26,30)(H,27,31)(H3,25,28,29)
InChIKeyBNQMUNINUMWZQI-UHFFFAOYSA-N
XLogP2.98
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-methoxybenzamide?
The IUPAC name of N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide (CID 122196202) is N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide is COc1ccccc1C(=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-methoxybenzamide?
The InChIKey is BNQMUNINUMWZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-32-20-8-3-2-5-18(20)24(31)27-14-13-26-23(30)16-11-9-15(10-12-16)17-6-4-7-19-21(17)22(25)29-28-19/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-methoxybenzamide?
N-[2-[[4-(3-amino-1H-indazol-4-yl)benzoyl]amino]ethyl]-2-methoxybenzamide has a molecular weight of 429.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 4 hydrogen bond donors, and 5 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-methoxybenzamide is sourced from PubChem (CID 122196202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).