6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide

C11H13BrN2O2 — CID 66462316

IUPAC6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(c1ccc(Br)nc1)N(CCO)C1CC1
InChIInChI=1S/C11H13BrN2O2/c12-10-4-1-8(7-13-10)11(16)14(5-6-15)9-2-3-9/h1,4,7,9,15H,2-3,5-6H2
InChIKeyNGYMNFRXKBLECE-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.44
Rot. Bonds4

About 6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide

6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 66462316) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID66462316
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(c1ccc(Br)nc1)N(CCO)C1CC1
InChIInChI=1S/C11H13BrN2O2/c12-10-4-1-8(7-13-10)11(16)14(5-6-15)9-2-3-9/h1,4,7,9,15H,2-3,5-6H2
InChIKeyNGYMNFRXKBLECE-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-6-methoxypyridine-3-carboxamide
CID 43577386
N-cyclopropyl-6-(dimethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 43576622
6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54995273
3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 61095056
6-bromo-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 66465068
N-cyclohexyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 62174091
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930
5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 63723702
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021729

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 66462316) is 6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide is O=C(c1ccc(Br)nc1)N(CCO)C1CC1.
What is the InChIKey of 6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is NGYMNFRXKBLECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-10-4-1-8(7-13-10)11(16)14(5-6-15)9-2-3-9/h1,4,7,9,15H,2-3,5-6H2.
What are the key properties of 6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66462316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).