2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide

C11H15BrN2O — CID 107904597

IUPAC2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCCN(Cc1ccncc1)C(=O)C(C)Br
InChIInChI=1S/C11H15BrN2O/c1-3-14(11(15)9(2)12)8-10-4-6-13-7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyGYIZRPNDRKHGSB-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.21
Rot. Bonds4

About 2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide

2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 107904597) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID107904597
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCCN(Cc1ccncc1)C(=O)C(C)Br
InChIInChI=1S/C11H15BrN2O/c1-3-14(11(15)9(2)12)8-10-4-6-13-7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyGYIZRPNDRKHGSB-UHFFFAOYSA-N
XLogP2.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.21
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

N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 62637760
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
CID 10125724
(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 40635886
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065620
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683024
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide (CID 107904597) is 2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide is CCN(Cc1ccncc1)C(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is GYIZRPNDRKHGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-14(11(15)9(2)12)8-10-4-6-13-7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide?
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 271.16 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 107904597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).