3-bromo-N-ethyl-N-pyridin-4-ylpropanamide

C10H13BrN2O — CID 106934758

IUPAC3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
SMILESCCN(C(=O)CCBr)c1ccncc1
InChIInChI=1S/C10H13BrN2O/c1-2-13(10(14)3-6-11)9-4-7-12-8-5-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeyNLRPUFJPSRUYSN-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.22
Rot. Bonds4

About 3-bromo-N-ethyl-N-pyridin-4-ylpropanamide

3-bromo-N-ethyl-N-pyridin-4-ylpropanamide (PubChem CID 106934758) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
PubChem CID106934758
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
SMILESCCN(C(=O)CCBr)c1ccncc1
InChIInChI=1S/C10H13BrN2O/c1-2-13(10(14)3-6-11)9-4-7-12-8-5-9/h4-5,7-8H,2-3,6H2,1H3
InChIKeyNLRPUFJPSRUYSN-UHFFFAOYSA-N
XLogP2.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-ethyl-N-pyridin-4-ylhexanamide
CID 106935326
5-amino-N-ethyl-4-methyl-N-pyridin-4-ylpentanamide
CID 106935520
N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 113238508
2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide
CID 106935438
3-bromo-N-phenyl-N-propylpropanamide
CID 118001559
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
N-hexyl-N-pyridin-4-yloctanamide
CID 102480897
propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate
CID 106934812
3-tert-butyl-1-ethyl-1-pyridin-4-ylurea
CID 106934815
(3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide
CID 106935311
4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 106936138
2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
CID 106935267

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-bromo-N-ethyl-N-pyridin-4-ylpropanamide (CID 106934758) is 3-bromo-N-ethyl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-bromo-N-ethyl-N-pyridin-4-ylpropanamide is CCN(C(=O)CCBr)c1ccncc1.
What is the InChIKey of 3-bromo-N-ethyl-N-pyridin-4-ylpropanamide?
The InChIKey is NLRPUFJPSRUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-2-13(10(14)3-6-11)9-4-7-12-8-5-9/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-bromo-N-ethyl-N-pyridin-4-ylpropanamide?
3-bromo-N-ethyl-N-pyridin-4-ylpropanamide has a molecular weight of 257.13 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 106934758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).