4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile

C18H19FN4O — CID 122539801

IUPAC4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(NCCN2CCOCC2)cn1
InChIInChI=1S/C18H19FN4O/c19-15-3-1-14(2-4-15)17-11-16(12-20)22-13-18(17)21-5-6-23-7-9-24-10-8-23/h1-4,11,13,21H,5-10H2
InChIKeyPOEVVVLVBLYWKW-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.50
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile

4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile (PubChem CID 122539801) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile
PubChem CID122539801
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(NCCN2CCOCC2)cn1
InChIInChI=1S/C18H19FN4O/c19-15-3-1-14(2-4-15)17-11-16(12-20)22-13-18(17)21-5-6-23-7-9-24-10-8-23/h1-4,11,13,21H,5-10H2
InChIKeyPOEVVVLVBLYWKW-UHFFFAOYSA-N
XLogP2.50
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-morpholin-4-ylethylamino)benzonitrile
CID 28581021
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
4-[5-[4-(2-morpholin-4-ylethylamino)phenyl]furan-2-yl]pyridine-3-carbonitrile
CID 130375257
2-[6-(2-morpholin-4-ylethylamino)naphthalen-2-yl]benzonitrile
CID 118401087
5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 173164163
4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carbonitrile
CID 154984461
N-(2,4-difluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185897
5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 79840155
2-methyl-6-(2-morpholin-4-ylethylamino)benzonitrile
CID 114003078
4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857698
6-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-2-carbonitrile
CID 133391985
2-(4-fluorophenyl)-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1434715

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile (CID 122539801) is 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(F)cc2)c(NCCN2CCOCC2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile?
The InChIKey is POEVVVLVBLYWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-15-3-1-14(2-4-15)17-11-16(12-20)22-13-18(17)21-5-6-23-7-9-24-10-8-23/h1-4,11,13,21H,5-10H2.
What are the key properties of 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile?
4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile has a molecular weight of 326.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 122539801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).