6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide

C13H19BrN2O2 — CID 103889770

IUPAC6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCCC(C)N(CCOC)C(=O)c1cccc(Br)n1
InChIInChI=1S/C13H19BrN2O2/c1-4-10(2)16(8-9-18-3)13(17)11-6-5-7-12(14)15-11/h5-7,10H,4,8-9H2,1-3H3
InChIKeySJNYGACIZMZYHA-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.73
Rot. Bonds6

About 6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide

6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 103889770) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID103889770
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCCC(C)N(CCOC)C(=O)c1cccc(Br)n1
InChIInChI=1S/C13H19BrN2O2/c1-4-10(2)16(8-9-18-3)13(17)11-6-5-7-12(14)15-11/h5-7,10H,4,8-9H2,1-3H3
InChIKeySJNYGACIZMZYHA-UHFFFAOYSA-N
XLogP2.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889771
N-butan-2-yl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 55050644
3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
2-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 66377502
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369440
6-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 103889742
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
N-butan-2-yl-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62249354
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 103889770) is 6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide is CCC(C)N(CCOC)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is SJNYGACIZMZYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-4-10(2)16(8-9-18-3)13(17)11-6-5-7-12(14)15-11/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide?
6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103889770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).