2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile

C24H21N3O2S — CID 1038660

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N1CCOCC1
InChIInChI=1S/C24H21N3O2S/c25-16-21-20(18-7-3-1-4-8-18)15-22(19-9-5-2-6-10-19)26-24(21)30-17-23(28)27-11-13-29-14-12-27/h1-10,15H,11-14,17H2
InChIKeyDMDZZUBXKQNFAG-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.24
Rot. Bonds5

About 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 1038660) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile
PubChem CID1038660
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N1CCOCC1
InChIInChI=1S/C24H21N3O2S/c25-16-21-20(18-7-3-1-4-8-18)15-22(19-9-5-2-6-10-19)26-24(21)30-17-23(28)27-11-13-29-14-12-27/h1-10,15H,11-14,17H2
InChIKeyDMDZZUBXKQNFAG-UHFFFAOYSA-N
XLogP4.24
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-Dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile
CID 919961
2-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 710311
N-benzyl-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-ethylacetamide
CID 5223232
2-[[2-[3-Cyano-4-(4-fluorophenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]acetic acid
CID 1886771
2-{[2-(4-Benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
CID 657904
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-7-methylquinoline-3-carbonitrile
CID 1092234
Ethyl 2-(3-cyano-6-phenyl-2-pyridylthio)propanoate
CID 3156284
2-(3-Cyano-8-methyl-quinolin-2-ylsulfanyl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 3207678
2-(2-Morpholin-4-yl-2-oxo-ethylsulfanyl)-6-phenyl-4-trifluoromethyl-nicotinonitrile
CID 1128971
2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N,N-diethylacetamide
CID 973728
1-Morpholin-4-yl-2-(7,8,9,10-tetrahydro-phenanthridin-6-ylsulfanyl)-ethanone
CID 24762129
2-(2-Morpholin-4-yl-2-oxo-ethylsulfanyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 695453

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile (CID 1038660) is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is DMDZZUBXKQNFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c25-16-21-20(18-7-3-1-4-8-18)15-22(19-9-5-2-6-10-19)26-24(21)30-17-23(28)27-11-13-29-14-12-27/h1-10,15H,11-14,17H2.
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile?
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 415.52 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 1038660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).