3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide

C15H15BrN2O — CID 107517966

IUPAC3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ncccc1Br
InChIInChI=1S/C15H15BrN2O/c16-13-9-5-10-17-14(13)15(19)18-11-4-8-12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2,(H,18,19)
InChIKeyKLTNWYZYSXKGEU-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.21
Rot. Bonds5

About 3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide

3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 107517966) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID107517966
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ncccc1Br
InChIInChI=1S/C15H15BrN2O/c16-13-9-5-10-17-14(13)15(19)18-11-4-8-12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2,(H,18,19)
InChIKeyKLTNWYZYSXKGEU-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.21
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

3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
CID 107517449
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107519142
2-bromo-6-fluoro-N-(3-phenylpropyl)benzamide
CID 115678122
2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62237813
2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
CID 107517184
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899
N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 152622333
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 107517966) is 3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide is O=C(NCCCc1ccccc1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is KLTNWYZYSXKGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-13-9-5-10-17-14(13)15(19)18-11-4-8-12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2,(H,18,19).
What are the key properties of 3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide?
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 107517966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).