5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide

C17H19BrN2O — CID 166195436

IUPAC5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide
SMILESCc1ccncc1NC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-13-10-11-19-12-16(13)20-17(21)5-3-2-4-14-6-8-15(18)9-7-14/h6-12H,2-5H2,1H3,(H,20,21)
InChIKeyJNPKOSDQEBAGIS-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.50
Rot. Bonds6

About 5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide

5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide (PubChem CID 166195436) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide
PubChem CID166195436
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide
SMILESCc1ccncc1NC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-13-10-11-19-12-16(13)20-17(21)5-3-2-4-14-6-8-15(18)9-7-14/h6-12H,2-5H2,1H3,(H,20,21)
InChIKeyJNPKOSDQEBAGIS-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.50
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

N-(4-methyl-3-pyridinyl)-5-oxohexanamide
CID 75455735
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
5-(4-bromophenyl)-N'-methylpentanehydrazide
CID 116846599
N-(4-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)propanamide
CID 156907188
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63669494
5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide
CID 55760974

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide (CID 166195436) is 5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide is Cc1ccncc1NC(=O)CCCCc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide?
The InChIKey is JNPKOSDQEBAGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-13-10-11-19-12-16(13)20-17(21)5-3-2-4-14-6-8-15(18)9-7-14/h6-12H,2-5H2,1H3,(H,20,21).
What are the key properties of 5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide?
5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide has a molecular weight of 347.26 g/mol, XLogP of 4.50, 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-(4-methyl-3-pyridinyl)pentanamide is sourced from PubChem (CID 166195436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).