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

C14H13BrN2O2 — CID 113255537

IUPAC2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1Br)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H13BrN2O2/c15-13-12(4-1-7-16-13)14(18)17(10-5-6-10)9-11-3-2-8-19-11/h1-4,7-8,10H,5-6,9H2
InChIKeyCPNQQSFXUPKBSS-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.24
Rot. Bonds4

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

2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 113255537) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID113255537
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(c1cccnc1Br)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H13BrN2O2/c15-13-12(4-1-7-16-13)14(18)17(10-5-6-10)9-11-3-2-8-19-11/h1-4,7-8,10H,5-6,9H2
InChIKeyCPNQQSFXUPKBSS-UHFFFAOYSA-N
XLogP3.24
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.24
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-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 103754840
2-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 103752593
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 112817353
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929
N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 115299012
5-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 81317098
3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62793672
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
2-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 103752787
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide (CID 113255537) is 2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide is O=C(c1cccnc1Br)N(Cc1ccco1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CPNQQSFXUPKBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-13-12(4-1-7-16-13)14(18)17(10-5-6-10)9-11-3-2-8-19-11/h1-4,7-8,10H,5-6,9H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide?
2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 113255537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).