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

C10H10BrN3O — CID 107517449

IUPAC3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
SMILESN#CCCCNC(=O)c1ncccc1Br
InChIInChI=1S/C10H10BrN3O/c11-8-4-3-7-13-9(8)10(15)14-6-2-1-5-12/h3-4,7H,1-2,6H2,(H,14,15)
InChIKeyWDUQCRBHROKAIW-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.88
Rot. Bonds4

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

3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide (PubChem CID 107517449) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
PubChem CID107517449
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide
SMILESN#CCCCNC(=O)c1ncccc1Br
InChIInChI=1S/C10H10BrN3O/c11-8-4-3-7-13-9(8)10(15)14-6-2-1-5-12/h3-4,7H,1-2,6H2,(H,14,15)
InChIKeyWDUQCRBHROKAIW-UHFFFAOYSA-N
XLogP1.88
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370
3-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 114078807
N-(4-cyanobutyl)isoquinoline-1-carboxamide
CID 63296934
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
3-bromo-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 107517745
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide (CID 107517449) is 3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide is N#CCCCNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide?
The InChIKey is WDUQCRBHROKAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-8-4-3-7-13-9(8)10(15)14-6-2-1-5-12/h3-4,7H,1-2,6H2,(H,14,15).
What are the key properties of 3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide?
3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide has a molecular weight of 268.11 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-cyanopropyl)pyridine-2-carboxamide is sourced from PubChem (CID 107517449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).