N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide

C17H18BrN3O4 — CID 6734071

IUPACN'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Br)cn1)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C17H18BrN3O4/c18-12-3-6-15(19-9-12)21-17(25)8-7-16(24)20-10-14(23)11-1-4-13(22)5-2-11/h1-6,9,14,22-23H,7-8,10H2,(H,20,24)(H,19,21,25)
InChIKeySQXKIJPKVVRGPJ-UHFFFAOYSA-N
MW408.25 g/mol
LogP2.12
Rot. Bonds7

About N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide

N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide (PubChem CID 6734071) has the molecular formula C17H18BrN3O4 and a molecular weight of 408.25 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide
PubChem CID6734071
Molecular FormulaC17H18BrN3O4
Molecular Weight408.25 g/mol
Exact Mass407.05
IUPAC NameN'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Br)cn1)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C17H18BrN3O4/c18-12-3-6-15(19-9-12)21-17(25)8-7-16(24)20-10-14(23)11-1-4-13(22)5-2-11/h1-6,9,14,22-23H,7-8,10H2,(H,20,24)(H,19,21,25)
InChIKeySQXKIJPKVVRGPJ-UHFFFAOYSA-N
XLogP2.12
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
CID 764849
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
4-[(5-bromo-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 69336719
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
CID 29260428
(3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide
CID 130348311
4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide
CID 126478002
N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
CID 112729128
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
1-(5-bromo-2-pyridinyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871265
N-(5-bromo-2-pyridinyl)-2,2-bis(4-chlorophenyl)acetamide
CID 66848488
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
CID 84555427

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide (CID 6734071) is N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide is O=C(CCC(=O)Nc1ccc(Br)cn1)NCC(O)c1ccc(O)cc1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide?
The InChIKey is SQXKIJPKVVRGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O4/c18-12-3-6-15(19-9-12)21-17(25)8-7-16(24)20-10-14(23)11-1-4-13(22)5-2-11/h1-6,9,14,22-23H,7-8,10H2,(H,20,24)(H,19,21,25).
What are the key properties of N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide?
N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide has a molecular weight of 408.25 g/mol, XLogP of 2.12, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide is sourced from PubChem (CID 6734071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).