N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide

C12H15BrN2O — CID 114313873

IUPACN-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCCC1Br)c1ccncc1
InChIInChI=1S/C12H15BrN2O/c13-11-3-1-2-10(11)8-15-12(16)9-4-6-14-7-5-9/h4-7,10-11H,1-3,8H2,(H,15,16)
InChIKeyPPIMUSQQHPDFLO-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.38
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide

N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide (PubChem CID 114313873) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
PubChem CID114313873
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCCC1Br)c1ccncc1
InChIInChI=1S/C12H15BrN2O/c13-11-3-1-2-10(11)8-15-12(16)9-4-6-14-7-5-9/h4-7,10-11H,1-3,8H2,(H,15,16)
InChIKeyPPIMUSQQHPDFLO-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide (CID 114313873) is N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide is O=C(NCC1CCCC1Br)c1ccncc1.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide?
The InChIKey is PPIMUSQQHPDFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-11-3-1-2-10(11)8-15-12(16)9-4-6-14-7-5-9/h4-7,10-11H,1-3,8H2,(H,15,16).
What are the key properties of N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide?
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114313873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).