5-bromo-N-phenylmethoxypyridine-2-carboxamide

C13H11BrN2O2 — CID 62998593

IUPAC5-bromo-N-phenylmethoxypyridine-2-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C13H11BrN2O2/c14-11-6-7-12(15-8-11)13(17)16-18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyVNAJDHIXELABCX-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.71
Rot. Bonds4

About 5-bromo-N-phenylmethoxypyridine-2-carboxamide

5-bromo-N-phenylmethoxypyridine-2-carboxamide (PubChem CID 62998593) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 5-bromo-N-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-phenylmethoxypyridine-2-carboxamide
PubChem CID62998593
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name5-bromo-N-phenylmethoxypyridine-2-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C13H11BrN2O2/c14-11-6-7-12(15-8-11)13(17)16-18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKeyVNAJDHIXELABCX-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-phenylmethoxybenzamide
CID 41450559
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 81343082
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
benzyl N-[2-(5-bromo-2-pyridinyl)-2-oxoethyl]-N-methylcarbamate
CID 170993973
3-bromo-5-chloro-N-phenylmethoxybenzamide
CID 103826514
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 115606439
6-methyl-N-phenylmethoxypyridine-3-carboxamide
CID 18149129
5-bromo-N'-(2-chloroacetyl)pyridine-2-carbohydrazide
CID 58997432
benzyl 4-(5-bromopyridine-2-carbonyl)piperidine-1-carboxylate
CID 23627077
benzyl N-(5-bromo-3-chloro-2-pyridinyl)carbamate
CID 91757699
5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 4775508

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-phenylmethoxypyridine-2-carboxamide (CID 62998593) is 5-bromo-N-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-phenylmethoxypyridine-2-carboxamide is O=C(NOCc1ccccc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-phenylmethoxypyridine-2-carboxamide?
The InChIKey is VNAJDHIXELABCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-11-6-7-12(15-8-11)13(17)16-18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17).
What are the key properties of 5-bromo-N-phenylmethoxypyridine-2-carboxamide?
5-bromo-N-phenylmethoxypyridine-2-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 62998593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).