5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide

C16H18BrN3O2 — CID 17490617

IUPAC5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C16H18BrN3O2/c17-13-8-12(9-18-10-13)16(21)19-11-14(15-4-3-7-22-15)20-5-1-2-6-20/h3-4,7-10,14H,1-2,5-6,11H2,(H,19,21)
InChIKeyPEPHYKWATJOXAQ-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.00
Rot. Bonds5

About 5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide

5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide (PubChem CID 17490617) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
PubChem CID17490617
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C16H18BrN3O2/c17-13-8-12(9-18-10-13)16(21)19-11-14(15-4-3-7-22-15)20-5-1-2-6-20/h3-4,7-10,14H,1-2,5-6,11H2,(H,19,21)
InChIKeyPEPHYKWATJOXAQ-UHFFFAOYSA-N
XLogP3.00
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 97114625
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 55786679
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35691476
3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 110621303
4-bromo-N-[3-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 26622015
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 9171895

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide (CID 17490617) is 5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide is O=C(NCC(c1ccco1)N1CCCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
The InChIKey is PEPHYKWATJOXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c17-13-8-12(9-18-10-13)16(21)19-11-14(15-4-3-7-22-15)20-5-1-2-6-20/h3-4,7-10,14H,1-2,5-6,11H2,(H,19,21).
What are the key properties of 5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 17490617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).