5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile

C17H18N4O3S — CID 133358400

IUPAC5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1
InChIInChI=1S/C17H18N4O3S/c18-11-15-3-4-16(13-20-15)19-12-14-1-5-17(6-2-14)25(22,23)21-7-9-24-10-8-21/h1-6,13,19H,7-10,12H2
InChIKeyFLDGSIHBOAPSGK-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.59
Rot. Bonds5

About 5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile

5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile (PubChem CID 133358400) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
PubChem CID133358400
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1
InChIInChI=1S/C17H18N4O3S/c18-11-15-3-4-16(13-20-15)19-12-14-1-5-17(6-2-14)25(22,23)21-7-9-24-10-8-21/h1-6,13,19H,7-10,12H2
InChIKeyFLDGSIHBOAPSGK-UHFFFAOYSA-N
XLogP1.59
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-ethylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 100675654
1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55570525
4-[(4-methyl-3-morpholin-4-ylsulfonylanilino)methyl]benzonitrile
CID 27056917
5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358833
4-(4-fluorophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrimidin-2-amine
CID 56575792
4-[(6-cyano-3-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 115638462
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
CID 115602649
4-morpholin-4-ylsulfonyl-N-(2-pyridin-4-ylethyl)aniline
CID 139019834
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884

Frequently Asked Questions

What is the IUPAC name of 5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile (CID 133358400) is 5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1.
What is the InChIKey of 5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is FLDGSIHBOAPSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c18-11-15-3-4-16(13-20-15)19-12-14-1-5-17(6-2-14)25(22,23)21-7-9-24-10-8-21/h1-6,13,19H,7-10,12H2.
What are the key properties of 5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile?
5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 358.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-morpholin-4-ylsulfonylphenyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133358400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).