N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide

C12H15BrN2O — CID 114311461

IUPACN-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(NC1(CBr)CCCC1)c1ccncc1
InChIInChI=1S/C12H15BrN2O/c13-9-12(5-1-2-6-12)15-11(16)10-3-7-14-8-4-10/h3-4,7-8H,1-2,5-6,9H2,(H,15,16)
InChIKeyZGWXYKFTXGNOQF-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.52
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide

N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 114311461) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID114311461
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(NC1(CBr)CCCC1)c1ccncc1
InChIInChI=1S/C12H15BrN2O/c13-9-12(5-1-2-6-12)15-11(16)10-3-7-14-8-4-10/h3-4,7-8H,1-2,5-6,9H2,(H,15,16)
InChIKeyZGWXYKFTXGNOQF-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.52
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-(bromomethyl)cyclopentyl]pyridazine-4-carboxamide
CID 104672706
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
N-[1-(bromomethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 114314181
3,5-dibromo-N-[1-(bromomethyl)cyclopentyl]benzamide
CID 107975111
N-[1-(bromomethyl)cyclohexyl]-4-nitrobenzamide
CID 114314124
N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 114314078
N-[1-(bromomethyl)cyclobutyl]-3-methoxypyridine-4-carboxamide
CID 105064624
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490
N-[1-(bromomethyl)cyclopentyl]-4-chloro-3-fluorobenzamide
CID 107993984

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide (CID 114311461) is N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide is O=C(NC1(CBr)CCCC1)c1ccncc1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is ZGWXYKFTXGNOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-9-12(5-1-2-6-12)15-11(16)10-3-7-14-8-4-10/h3-4,7-8H,1-2,5-6,9H2,(H,15,16).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide?
N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 114311461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).