N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide

C20H24N4O2 — CID 172895585

IUPACN-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide
SMILESO=C(NCCCO)c1ccc(CCNCc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C20H24N4O2/c25-12-2-10-22-20(26)16-7-5-15(6-8-16)9-11-21-13-17-3-1-4-19-18(17)14-23-24-19/h1,3-8,14,21,25H,2,9-13H2,(H,22,26)(H,23,24)
InChIKeyBYIKQEHTQYCAKV-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.01
Rot. Bonds9

About N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide

N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide (PubChem CID 172895585) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide
PubChem CID172895585
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide
SMILESO=C(NCCCO)c1ccc(CCNCc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C20H24N4O2/c25-12-2-10-22-20(26)16-7-5-15(6-8-16)9-11-21-13-17-3-1-4-19-18(17)14-23-24-19/h1,3-8,14,21,25H,2,9-13H2,(H,22,26)(H,23,24)
InChIKeyBYIKQEHTQYCAKV-UHFFFAOYSA-N
XLogP2.01
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.01
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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Related Compounds

N-(3-hydroxypropyl)-1H-indazole-4-carboxamide
CID 110468684
N-(3-formamidopropyl)-1H-indazole-4-carboxamide
CID 110468696
formaldehyde;4-[(3-hydroxypropylamino)methyl]-N-[2-(4-methylphenyl)ethyl]benzamide;methanol
CID 142267383
4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide
CID 137453812
3-chloro-4,5-difluoro-N-(1H-indazol-4-ylmethyl)benzamide
CID 137453536
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
4-(bromomethyl)-N-(1H-indazol-4-yl)benzamide
CID 102851224
2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-(5-phenylpentyl)benzamide
CID 23544132
4-[(dimethylamino)methyl]-N-(3-hydroxypropyl)benzamide
CID 43500357
N-(1H-indazol-4-ylmethyl)aniline
CID 91506728
4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide
CID 129067460
4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111601526

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide?
The IUPAC name of N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide (CID 172895585) is N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide is O=C(NCCCO)c1ccc(CCNCc2cccc3[nH]ncc23)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide?
The InChIKey is BYIKQEHTQYCAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-12-2-10-22-20(26)16-7-5-15(6-8-16)9-11-21-13-17-3-1-4-19-18(17)14-23-24-19/h1,3-8,14,21,25H,2,9-13H2,(H,22,26)(H,23,24).
What are the key properties of N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide?
N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide has a molecular weight of 352.44 g/mol, XLogP of 2.01, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 172895585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).