N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide

C23H21N5O3 — CID 47091227

IUPACN-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCNC(=O)c1n[nH]c2ccccc12)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C23H21N5O3/c29-22(17-6-3-7-18(13-17)31-15-16-5-4-10-24-14-16)25-11-12-26-23(30)21-19-8-1-2-9-20(19)27-28-21/h1-10,13-14H,11-12,15H2,(H,25,29)(H,26,30)(H,27,28)
InChIKeyGYQMUHYPBDLHMH-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.70
Rot. Bonds8

About N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide

N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide (PubChem CID 47091227) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
PubChem CID47091227
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide
SMILESO=C(NCCNC(=O)c1n[nH]c2ccccc12)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C23H21N5O3/c29-22(17-6-3-7-18(13-17)31-15-16-5-4-10-24-14-16)25-11-12-26-23(30)21-19-8-1-2-9-20(19)27-28-21/h1-10,13-14H,11-12,15H2,(H,25,29)(H,26,30)(H,27,28)
InChIKeyGYQMUHYPBDLHMH-UHFFFAOYSA-N
XLogP2.70
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.70
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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Related Compounds

3,4-dichloro-N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]benzamide
CID 78889118
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
CID 55976013
3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46490817
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide (CID 47091227) is N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide is O=C(NCCNC(=O)c1n[nH]c2ccccc12)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide?
The InChIKey is GYQMUHYPBDLHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-22(17-6-3-7-18(13-17)31-15-16-5-4-10-24-14-16)25-11-12-26-23(30)21-19-8-1-2-9-20(19)27-28-21/h1-10,13-14H,11-12,15H2,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide?
N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 47091227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).