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

C12H15BrN2O — CID 114758379

IUPACN-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CCBr)CC1)c1ccccn1
InChIInChI=1S/C12H15BrN2O/c13-7-6-12(4-5-12)9-15-11(16)10-3-1-2-8-14-10/h1-3,8H,4-7,9H2,(H,15,16)
InChIKeyKMZCNFAYRILCJU-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.38
Rot. Bonds5

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

N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide (PubChem CID 114758379) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
PubChem CID114758379
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CCBr)CC1)c1ccccn1
InChIInChI=1S/C12H15BrN2O/c13-7-6-12(4-5-12)9-15-11(16)10-3-1-2-8-14-10/h1-3,8H,4-7,9H2,(H,15,16)
InChIKeyKMZCNFAYRILCJU-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.38
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

3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 107526326
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
CID 114758265
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 47108596
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-methylimidazole-4-carboxamide
CID 107975383
N-[[1-(2-bromoethyl)cyclopropyl]methyl]naphthalene-2-carboxamide
CID 114758301
4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751793
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorofuran-3-carboxamide
CID 106690207
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758419
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 110481986
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-chloro-2-methylbenzamide
CID 107100287

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide (CID 114758379) is N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide is O=C(NCC1(CCBr)CC1)c1ccccn1.
What is the InChIKey of N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The InChIKey is KMZCNFAYRILCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-7-6-12(4-5-12)9-15-11(16)10-3-1-2-8-14-10/h1-3,8H,4-7,9H2,(H,15,16).
What are the key properties of N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 114758379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).