6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile

C16H18N4O — CID 51300917

IUPAC6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC(c2ccco2)N2CCCC2)nc1
InChIInChI=1S/C16H18N4O/c17-10-13-5-6-16(18-11-13)19-12-14(15-4-3-9-21-15)20-7-1-2-8-20/h3-6,9,11,14H,1-2,7-8,12H2,(H,18,19)
InChIKeyRWHTYBABLGWRFL-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.80
Rot. Bonds5

About 6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile

6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile (PubChem CID 51300917) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
PubChem CID51300917
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC(c2ccco2)N2CCCC2)nc1
InChIInChI=1S/C16H18N4O/c17-10-13-5-6-16(18-11-13)19-12-14(15-4-3-9-21-15)20-7-1-2-8-20/h3-6,9,11,14H,1-2,7-8,12H2,(H,18,19)
InChIKeyRWHTYBABLGWRFL-UHFFFAOYSA-N
XLogP2.80
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55346504
4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-nitrobenzonitrile
CID 16558694
3-[[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methyl]benzonitrile
CID 47014029
2-tert-butyl-5-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 17013378
5-bromo-2-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]benzonitrile
CID 97214782
6-[2-(4-methylpiperazin-1-yl)propylamino]pyridine-3-carbonitrile
CID 133289535
1-[(4-cyanophenyl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine
CID 111304639
1-[(1S)-1-(4-cyanophenyl)ethyl]-1-ethyl-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95273745
2-(4-chlorophenyl)-5-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 35345526
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 94519626
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]piperidine-1-sulfonamide
CID 51076118

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile (CID 51300917) is 6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NCC(c2ccco2)N2CCCC2)nc1.
What is the InChIKey of 6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile?
The InChIKey is RWHTYBABLGWRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-10-13-5-6-16(18-11-13)19-12-14(15-4-3-9-21-15)20-7-1-2-8-20/h3-6,9,11,14H,1-2,7-8,12H2,(H,18,19).
What are the key properties of 6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile?
6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 51300917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).