5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide

C12H15BrN2O3 — CID 79039270

IUPAC5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1ccc(Br)cn1
InChIInChI=1S/C12H15BrN2O3/c13-9-1-2-10(14-7-9)11(16)15-8-12(17)3-5-18-6-4-12/h1-2,7,17H,3-6,8H2,(H,15,16)
InChIKeyCASLMOWQEKOGPP-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.12
Rot. Bonds3

About 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide

5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 79039270) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
PubChem CID79039270
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1ccc(Br)cn1
InChIInChI=1S/C12H15BrN2O3/c13-9-1-2-10(14-7-9)11(16)15-8-12(17)3-5-18-6-4-12/h1-2,7,17H,3-6,8H2,(H,15,16)
InChIKeyCASLMOWQEKOGPP-UHFFFAOYSA-N
XLogP1.12
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115664962
5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
CID 78957062
5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide
CID 136516861
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
CID 79039942
4-[(5-bromopyridine-2-carbonyl)amino]oxane-4-carboxylic acid
CID 115291548
1-[(4-bromophenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 111106655
1-(4-bromophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936206
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
CID 79351145
3,6-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79038761
N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103712065
N-[(4-hydroxyoxan-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 71788624

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide (CID 79039270) is 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide is O=C(NCC1(O)CCOCC1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is CASLMOWQEKOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-9-1-2-10(14-7-9)11(16)15-8-12(17)3-5-18-6-4-12/h1-2,7,17H,3-6,8H2,(H,15,16).
What are the key properties of 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 79039270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).