2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide

C20H17BrN4O2 — CID 55840055

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide
SMILESN#Cc1cccnc1NCCNC(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H17BrN4O2/c21-17-5-3-15-11-18(6-4-14(15)10-17)27-13-19(26)23-8-9-25-20-16(12-22)2-1-7-24-20/h1-7,10-11H,8-9,13H2,(H,23,26)(H,24,25)
InChIKeyGOTNGWWRDWGZSC-UHFFFAOYSA-N
MW425.29 g/mol
LogP3.48
Rot. Bonds7

About 2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide (PubChem CID 55840055) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide
PubChem CID55840055
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide
SMILESN#Cc1cccnc1NCCNC(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H17BrN4O2/c21-17-5-3-15-11-18(6-4-14(15)10-17)27-13-19(26)23-8-9-25-20-16(12-22)2-1-7-24-20/h1-7,10-11H,8-9,13H2,(H,23,26)(H,24,25)
InChIKeyGOTNGWWRDWGZSC-UHFFFAOYSA-N
XLogP3.48
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide
CID 55840184
2-(6-bromonaphthalen-2-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 7604570
3-bromo-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-methoxybenzamide
CID 47037254
2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 55774453
2-bromo-N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-5-methoxybenzamide
CID 133295594
N-(4-bromo-2-methylphenyl)-2-[(3-cyano-2-pyridinyl)amino]acetamide
CID 31585343
2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55933517
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55727986
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 47037231
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
tert-butyl N-[3-[(3-cyano-2-pyridinyl)amino]propyl]carbamate
CID 115611765

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide (CID 55840055) is 2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide is N#Cc1cccnc1NCCNC(=O)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide?
The InChIKey is GOTNGWWRDWGZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2/c21-17-5-3-15-11-18(6-4-14(15)10-17)27-13-19(26)23-8-9-25-20-16(12-22)2-1-7-24-20/h1-7,10-11H,8-9,13H2,(H,23,26)(H,24,25).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide has a molecular weight of 425.29 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 55840055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).