2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide

C21H17BrN4O2 — CID 55852461

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C21H17BrN4O2/c22-18-4-2-17-12-19(5-3-16(17)11-18)28-14-21(27)24-13-15-6-8-23-20(10-15)26-9-1-7-25-26/h1-12H,13-14H2,(H,24,27)
InChIKeyUHURMCPUKOQDNX-UHFFFAOYSA-N
MW437.30 g/mol
LogP3.88
Rot. Bonds6

About 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide (PubChem CID 55852461) has the molecular formula C21H17BrN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
PubChem CID55852461
Molecular FormulaC21H17BrN4O2
Molecular Weight437.30 g/mol
Exact Mass436.05
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C21H17BrN4O2/c22-18-4-2-17-12-19(5-3-16(17)11-18)28-14-21(27)24-13-15-6-8-23-20(10-15)26-9-1-7-25-26/h1-12H,13-14H2,(H,24,27)
InChIKeyUHURMCPUKOQDNX-UHFFFAOYSA-N
XLogP3.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619635
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119846907
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 52681070
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651507
1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 75414500
2-(4-tert-butylphenyl)sulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619723
benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 154775336
N-(benzylcarbamoyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786702

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide (CID 55852461) is 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide is O=C(COc1ccc2cc(Br)ccc2c1)NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is UHURMCPUKOQDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2/c22-18-4-2-17-12-19(5-3-16(17)11-18)28-14-21(27)24-13-15-6-8-23-20(10-15)26-9-1-7-25-26/h1-12H,13-14H2,(H,24,27).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 437.30 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 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-pyrazol-1-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55852461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).