N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide

C25H25N5O2 — CID 59951191

IUPACN-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide
SMILESCNC(=O)c1ccc(-n2nc(-c3ccc(C(=O)NCCCN)cc3)c3ccccc32)cc1
InChIInChI=1S/C25H25N5O2/c1-27-24(31)18-11-13-20(14-12-18)30-22-6-3-2-5-21(22)23(29-30)17-7-9-19(10-8-17)25(32)28-16-4-15-26/h2-3,5-14H,4,15-16,26H2,1H3,(H,27,31)(H,28,32)
InChIKeyCGHZINICBUGRGZ-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.13
Rot. Bonds7

About N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide

N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide (PubChem CID 59951191) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide
PubChem CID59951191
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide
SMILESCNC(=O)c1ccc(-n2nc(-c3ccc(C(=O)NCCCN)cc3)c3ccccc32)cc1
InChIInChI=1S/C25H25N5O2/c1-27-24(31)18-11-13-20(14-12-18)30-22-6-3-2-5-21(22)23(29-30)17-7-9-19(10-8-17)25(32)28-16-4-15-26/h2-3,5-14H,4,15-16,26H2,1H3,(H,27,31)(H,28,32)
InChIKeyCGHZINICBUGRGZ-UHFFFAOYSA-N
XLogP3.13
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.13
H-Bond Donors ≤ 53
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-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide?
The IUPAC name of N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide (CID 59951191) is N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide is CNC(=O)c1ccc(-n2nc(-c3ccc(C(=O)NCCCN)cc3)c3ccccc32)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide?
The InChIKey is CGHZINICBUGRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-27-24(31)18-11-13-20(14-12-18)30-22-6-3-2-5-21(22)23(29-30)17-7-9-19(10-8-17)25(32)28-16-4-15-26/h2-3,5-14H,4,15-16,26H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide?
N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide has a molecular weight of 427.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide is sourced from PubChem (CID 59951191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).