ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile

C26H25N3OS — CID 145041366

IUPACethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
SMILESCC.N#Cc1cnccc1-c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)s1
InChIInChI=1S/C24H19N3OS.C2H6/c25-15-20-16-26-8-7-22(20)24-6-5-23(29-24)19-2-1-18-14-21(4-3-17(18)13-19)27-9-11-28-12-10-27;1-2/h1-8,13-14,16H,9-12H2;1-2H3
InChIKeyNIFHUCGAVTXLDK-UHFFFAOYSA-N
MW427.57 g/mol
LogP6.36
Rot. Bonds3

About ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile

ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile (PubChem CID 145041366) has the molecular formula C26H25N3OS and a molecular weight of 427.57 g/mol. Its IUPAC name is ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Nameethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
PubChem CID145041366
Molecular FormulaC26H25N3OS
Molecular Weight427.57 g/mol
Exact Mass427.17
IUPAC Nameethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
SMILESCC.N#Cc1cnccc1-c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)s1
InChIInChI=1S/C24H19N3OS.C2H6/c25-15-20-16-26-8-7-22(20)24-6-5-23(29-24)19-2-1-18-14-21(4-3-17(18)13-19)27-9-11-28-12-10-27;1-2/h1-8,13-14,16H,9-12H2;1-2H3
InChIKeyNIFHUCGAVTXLDK-UHFFFAOYSA-N
XLogP6.36
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
CID 144927816
4-(4-piperidin-1-ylphenyl)pyridine-3-carbonitrile
CID 118401000
4-[1-methyl-5-(4-piperidin-1-ylphenyl)pyrrol-2-yl]pyridine-3-carbonitrile
CID 153371436
ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
CID 144927699
4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile
CID 144927855
6-morpholin-4-ylquinolin-2-amine
CID 25139674
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
3-(8-morpholin-4-yl-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)pyridine-4-carbonitrile
CID 164853087
(E)-1-cyano-2-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-N-[[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]prop-1-ene-1-sulfonamide
CID 118401183
(E)-2-cyano-N-(4-hydroxy-2-methylbutan-2-yl)-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]but-2-enamide;2-methylpropane
CID 145041247
ethane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-6-(6-morpholin-4-ylnaphthalen-2-yl)benzonitrile
CID 144927854
(E)-2-cyano-3-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]but-2-enamide
CID 122683857

Frequently Asked Questions

What is the IUPAC name of ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile?
The IUPAC name of ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile (CID 145041366) is ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile is CC.N#Cc1cnccc1-c1ccc(-c2ccc3cc(N4CCOCC4)ccc3c2)s1.
What is the InChIKey of ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile?
The InChIKey is NIFHUCGAVTXLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS.C2H6/c25-15-20-16-26-8-7-22(20)24-6-5-23(29-24)19-2-1-18-14-21(4-3-17(18)13-19)27-9-11-28-12-10-27;1-2/h1-8,13-14,16H,9-12H2;1-2H3.
What are the key properties of ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile?
ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile has a molecular weight of 427.57 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 145041366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).