4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile

C22H22N4O2 — CID 130375257

IUPAC4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1-c1ccc(-c2ccc(NCCN3CCOCC3)cc2)o1
InChIInChI=1S/C22H22N4O2/c23-15-18-16-24-8-7-20(18)22-6-5-21(28-22)17-1-3-19(4-2-17)25-9-10-26-11-13-27-14-12-26/h1-8,16,25H,9-14H2
InChIKeyBCOJTYDCLIIHMQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.62
Rot. Bonds6

About 4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile

4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile (PubChem CID 130375257) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile
PubChem CID130375257
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1-c1ccc(-c2ccc(NCCN3CCOCC3)cc2)o1
InChIInChI=1S/C22H22N4O2/c23-15-18-16-24-8-7-20(18)22-6-5-21(28-22)17-1-3-19(4-2-17)25-9-10-26-11-13-27-14-12-26/h1-8,16,25H,9-14H2
InChIKeyBCOJTYDCLIIHMQ-UHFFFAOYSA-N
XLogP3.62
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
CID 118401087
2-[6-[2-(1,4-oxazepan-4-yl)ethylamino]naphthalen-2-yl]benzonitrile
CID 123577017
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-[4-(2-morpholin-4-ylethylamino)phenyl]pyridine-3-carbonitrile
CID 123516424
5-(2-morpholin-4-ylethylamino)-2-nitrobenzonitrile
CID 115348699
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridin-2-amine
CID 68563520
2-(2-fluorophenyl)-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 892575
4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile
CID 122539801
3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367
2-amino-5-(3-morpholin-4-ylpropylamino)benzonitrile
CID 115499071
4-(cycloheptylamino)-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
CID 69259832

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile (CID 130375257) is 4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile is N#Cc1cnccc1-c1ccc(-c2ccc(NCCN3CCOCC3)cc2)o1.
What is the InChIKey of 4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile?
The InChIKey is BCOJTYDCLIIHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-15-18-16-24-8-7-20(18)22-6-5-21(28-22)17-1-3-19(4-2-17)25-9-10-26-11-13-27-14-12-26/h1-8,16,25H,9-14H2.
What are the key properties of 4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile?
4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile has a molecular weight of 374.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 130375257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).