5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C11H13BrN2O2 — CID 4884775

IUPAC5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(Br)c1
InChIInChI=1S/C11H13BrN2O2/c12-9-4-8(5-13-6-9)11(15)14-7-10-2-1-3-16-10/h4-6,10H,1-3,7H2,(H,14,15)
InChIKeyWJOXRWRPKFTQQX-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.75
Rot. Bonds3

About 5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 4884775) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID4884775
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(Br)c1
InChIInChI=1S/C11H13BrN2O2/c12-9-4-8(5-13-6-9)11(15)14-7-10-2-1-3-16-10/h4-6,10H,1-3,7H2,(H,14,15)
InChIKeyWJOXRWRPKFTQQX-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Bromo-N-(2-morpholinoethyl)nicotinamide
CID 46233338
5,6-dichloro-N-[(oxolan-2-yl)methyl]pyridine-3-carboxamide
CID 3923546
2-Bromo-N-(3-morpholinopropyl)nicotinamide
CID 46233404
Ethyl 4-[(5-bromopyridin-3-YL)formamido]butanoate
CID 2277148
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
Ethyl 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylate
CID 2998450
6-[(E)-(hydroxyimino)methyl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-3-carboxamide
CID 135485429
2-(Cyclopentylamino)-2-oxoethyl 5-bromopyridine-3-carboxylate
CID 2432352
3-[(5-Bromo-pyridine-3-carbonyl)-amino]-propionic acid
CID 743143
4-[(5-Bromopyridine-3-carbonyl)amino]butanoic acid
CID 1893245
5-bromo-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 11381382
5-Bromo-N-methylpyridine-3-carboxamide
CID 22049775

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 4884775) is 5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is WJOXRWRPKFTQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-9-4-8(5-13-6-9)11(15)14-7-10-2-1-3-16-10/h4-6,10H,1-3,7H2,(H,14,15).
What are the key properties of 5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4884775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).