5-(4-bromophenyl)-N-pyridin-3-ylpentanamide

C16H17BrN2O — CID 166191110

IUPAC5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
SMILESO=C(CCCCc1ccc(Br)cc1)Nc1cccnc1
InChIInChI=1S/C16H17BrN2O/c17-14-9-7-13(8-10-14)4-1-2-6-16(20)19-15-5-3-11-18-12-15/h3,5,7-12H,1-2,4,6H2,(H,19,20)
InChIKeyKYUORKXRJYZWAG-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.20
Rot. Bonds6

About 5-(4-bromophenyl)-N-pyridin-3-ylpentanamide

5-(4-bromophenyl)-N-pyridin-3-ylpentanamide (PubChem CID 166191110) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-pyridin-3-ylpentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
PubChem CID166191110
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
SMILESO=C(CCCCc1ccc(Br)cc1)Nc1cccnc1
InChIInChI=1S/C16H17BrN2O/c17-14-9-7-13(8-10-14)4-1-2-6-16(20)19-15-5-3-11-18-12-15/h3,5,7-12H,1-2,4,6H2,(H,19,20)
InChIKeyKYUORKXRJYZWAG-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide
CID 166195436
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
N-pyridin-3-yl-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]butanamide
CID 138674390
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474
4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674422
4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674485
4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674494
5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
CID 60513548
4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674503
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-pyridin-3-ylpentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-pyridin-3-ylpentanamide (CID 166191110) is 5-(4-bromophenyl)-N-pyridin-3-ylpentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-pyridin-3-ylpentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-pyridin-3-ylpentanamide is O=C(CCCCc1ccc(Br)cc1)Nc1cccnc1.
What is the InChIKey of 5-(4-bromophenyl)-N-pyridin-3-ylpentanamide?
The InChIKey is KYUORKXRJYZWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-14-9-7-13(8-10-14)4-1-2-6-16(20)19-15-5-3-11-18-12-15/h3,5,7-12H,1-2,4,6H2,(H,19,20).
What are the key properties of 5-(4-bromophenyl)-N-pyridin-3-ylpentanamide?
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide has a molecular weight of 333.23 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-pyridin-3-ylpentanamide is sourced from PubChem (CID 166191110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).