N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide

C24H23N5O2 — CID 25059367

IUPACN-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide
SMILESN#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1
InChIInChI=1S/C24H23N5O2/c25-10-12-27-24(30)19-3-1-18(2-4-19)20-9-11-26-23(17-20)28-21-5-7-22(8-6-21)29-13-15-31-16-14-29/h1-9,11,17H,12-16H2,(H,26,28)(H,27,30)
InChIKeyGMRPJYOWZLCEBG-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.58
Rot. Bonds6

About N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide

N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide (PubChem CID 25059367) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide
PubChem CID25059367
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide
SMILESN#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1
InChIInChI=1S/C24H23N5O2/c25-10-12-27-24(30)19-3-1-18(2-4-19)20-9-11-26-23(17-20)28-21-5-7-22(8-6-21)29-13-15-31-16-14-29/h1-9,11,17H,12-16H2,(H,26,28)(H,27,30)
InChIKeyGMRPJYOWZLCEBG-UHFFFAOYSA-N
XLogP3.58
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzamide
CID 90875242
N-(cyanomethyl)-4-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)anilino]pyrimidin-4-yl]benzamide
CID 72714990
4-[5-chloro-2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-N-(cyanomethyl)benzamide
CID 159699553
N-(cyanomethyl)-4-[2-[4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)anilino]pyrimidin-4-yl]benzamide
CID 72715086
propan-2-yl 5-[[4-[4-(cyanomethylcarbamoyl)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-ylbenzoate
CID 87602514
N-(cyanomethyl)-4-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]benzamide
CID 58228974
2-(4-morpholin-4-ylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092220
O-(fluoromethyl) 5-[[4-[4-(cyanomethylcarbamoyl)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-ylbenzenecarbothioate
CID 91124452
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 141440785
2-cyano-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 25060146
methyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112857139

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide?
The IUPAC name of N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide (CID 25059367) is N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide.
What is the SMILES notation for N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide?
The canonical SMILES for N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide is N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1.
What is the InChIKey of N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide?
The InChIKey is GMRPJYOWZLCEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-10-12-27-24(30)19-3-1-18(2-4-19)20-9-11-26-23(17-20)28-21-5-7-22(8-6-21)29-13-15-31-16-14-29/h1-9,11,17H,12-16H2,(H,26,28)(H,27,30).
What are the key properties of N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide?
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide is sourced from PubChem (CID 25059367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).