N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide

C11H15BrN2O3 — CID 106307388

IUPACN-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCCOCCBr)c1ccncc1O
InChIInChI=1S/C11H15BrN2O3/c12-3-7-17-6-1-4-14-11(16)9-2-5-13-8-10(9)15/h2,5,8,15H,1,3-4,6-7H2,(H,14,16)
InChIKeyXSACNLUKXOEXRJ-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.32
Rot. Bonds7

About N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide

N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 106307388) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
PubChem CID106307388
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC NameN-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCCOCCBr)c1ccncc1O
InChIInChI=1S/C11H15BrN2O3/c12-3-7-17-6-1-4-14-11(16)9-2-5-13-8-10(9)15/h2,5,8,15H,1,3-4,6-7H2,(H,14,16)
InChIKeyXSACNLUKXOEXRJ-UHFFFAOYSA-N
XLogP1.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 103741684
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
CID 103762349
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
CID 114309395
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
CID 106307533
N-[3-(2-bromoethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171422

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide (CID 106307388) is N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide is O=C(NCCCOCCBr)c1ccncc1O.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is XSACNLUKXOEXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c12-3-7-17-6-1-4-14-11(16)9-2-5-13-8-10(9)15/h2,5,8,15H,1,3-4,6-7H2,(H,14,16).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide?
N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 303.16 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 106307388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).