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

C13H17BrN2O — CID 115364322

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)c1ccncc1
InChIInChI=1S/C13H17BrN2O/c14-9-13(5-1-2-6-13)10-16-12(17)11-3-7-15-8-4-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17)
InChIKeyWRWOZHKMRMJDTF-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.77
Rot. Bonds4

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

N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide (PubChem CID 115364322) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
PubChem CID115364322
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)c1ccncc1
InChIInChI=1S/C13H17BrN2O/c14-9-13(5-1-2-6-13)10-16-12(17)11-3-7-15-8-4-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17)
InChIKeyWRWOZHKMRMJDTF-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.77
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)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 113439559
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[1-(bromomethyl)cyclopentyl]pyridine-4-carboxamide
CID 114311461
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-propan-2-ylbenzamide
CID 103969744
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide
CID 103969750
3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182
3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224
N-[[1-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 103969790
methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75484641
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 115364123
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide (CID 115364322) is N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide is O=C(NCC1(CBr)CCCC1)c1ccncc1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide?
The InChIKey is WRWOZHKMRMJDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-9-13(5-1-2-6-13)10-16-12(17)11-3-7-15-8-4-11/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115364322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).