6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide

C22H22BrN3O3 — CID 55786679

IUPAC6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C22H22BrN3O3/c23-17-6-8-18(9-7-17)29-21-10-5-16(14-24-21)22(27)25-15-19(20-4-3-13-28-20)26-11-1-2-12-26/h3-10,13-14,19H,1-2,11-12,15H2,(H,25,27)
InChIKeyXGEVYQMNSGZTKE-UHFFFAOYSA-N
MW456.34 g/mol
LogP4.80
Rot. Bonds7

About 6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide

6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide (PubChem CID 55786679) has the molecular formula C22H22BrN3O3 and a molecular weight of 456.34 g/mol. Its IUPAC name is 6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
PubChem CID55786679
Molecular FormulaC22H22BrN3O3
Molecular Weight456.34 g/mol
Exact Mass455.08
IUPAC Name6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1ccc(Oc2ccc(Br)cc2)nc1
InChIInChI=1S/C22H22BrN3O3/c23-17-6-8-18(9-7-17)29-21-10-5-16(14-24-21)22(27)25-15-19(20-4-3-13-28-20)26-11-1-2-12-26/h3-10,13-14,19H,1-2,11-12,15H2,(H,25,27)
InChIKeyXGEVYQMNSGZTKE-UHFFFAOYSA-N
XLogP4.80
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
CID 95151089
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 17490617
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74231099
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 17390945
4-bromo-N-[3-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 26622015
2-(ethylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrimidine-5-carboxamide
CID 97114625
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 26834301
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 4841525
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide (CID 55786679) is 6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide is O=C(NCC(c1ccco1)N1CCCC1)c1ccc(Oc2ccc(Br)cc2)nc1.
What is the InChIKey of 6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
The InChIKey is XGEVYQMNSGZTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O3/c23-17-6-8-18(9-7-17)29-21-10-5-16(14-24-21)22(27)25-15-19(20-4-3-13-28-20)26-11-1-2-12-26/h3-10,13-14,19H,1-2,11-12,15H2,(H,25,27).
What are the key properties of 6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide has a molecular weight of 456.34 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55786679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).