3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide

C12H14Br2N2O — CID 107526326

IUPAC3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CCBr)CC1)c1ncccc1Br
InChIInChI=1S/C12H14Br2N2O/c13-6-5-12(3-4-12)8-16-11(17)10-9(14)2-1-7-15-10/h1-2,7H,3-6,8H2,(H,16,17)
InChIKeyOAPNTHBAIABEML-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.14
Rot. Bonds5

About 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide

3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide (PubChem CID 107526326) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
PubChem CID107526326
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CCBr)CC1)c1ncccc1Br
InChIInChI=1S/C12H14Br2N2O/c13-6-5-12(3-4-12)8-16-11(17)10-9(14)2-1-7-15-10/h1-2,7H,3-6,8H2,(H,16,17)
InChIKeyOAPNTHBAIABEML-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114758379
3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114758209
4-[[(3-bromopyridine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 107517226
3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide
CID 107518791
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-5-chlorobenzamide
CID 114026599
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
CID 107517184
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106856232
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
CID 114758265
N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 114758301

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide (CID 107526326) is 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide is O=C(NCC1(CCBr)CC1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The InChIKey is OAPNTHBAIABEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c13-6-5-12(3-4-12)8-16-11(17)10-9(14)2-1-7-15-10/h1-2,7H,3-6,8H2,(H,16,17).
What are the key properties of 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide has a molecular weight of 362.07 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107526326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).