2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide

C16H17BrN2O2 — CID 103754840

IUPAC2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1Br)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C16H17BrN2O2/c17-15-14(8-3-9-18-15)16(20)19(12-5-1-2-6-12)11-13-7-4-10-21-13/h3-4,7-10,12H,1-2,5-6,11H2
InChIKeyAMWGEGYRKJJWLI-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.02
Rot. Bonds4

About 2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide

2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 103754840) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID103754840
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1Br)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C16H17BrN2O2/c17-15-14(8-3-9-18-15)16(20)19(12-5-1-2-6-12)11-13-7-4-10-21-13/h3-4,7-10,12H,1-2,5-6,11H2
InChIKeyAMWGEGYRKJJWLI-UHFFFAOYSA-N
XLogP4.02
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 113255537
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 112817353
2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 103752787
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 103752593
N-cyclopentyl-N-(furan-2-ylmethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337341
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 78991820
N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
6-chloro-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 103337342
N-cyclopentyl-N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63860432

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 103754840) is 2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide is O=C(c1cccnc1Br)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of 2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AMWGEGYRKJJWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-15-14(8-3-9-18-15)16(20)19(12-5-1-2-6-12)11-13-7-4-10-21-13/h3-4,7-10,12H,1-2,5-6,11H2.
What are the key properties of 2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103754840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).