N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide

C25H24N4O4S — CID 130405118

IUPACN-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1-c1cnc(N2CCOCC2)c(C#N)c1
InChIInChI=1S/C25H24N4O4S/c1-17-7-8-20(28-25(30)21-5-3-4-6-23(21)34(2,31)32)14-22(17)19-13-18(15-26)24(27-16-19)29-9-11-33-12-10-29/h3-8,13-14,16H,9-12H2,1-2H3,(H,28,30)
InChIKeySCFAIGZSGPYQFI-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.42
Rot. Bonds5

About N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide

N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide (PubChem CID 130405118) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide
PubChem CID130405118
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1-c1cnc(N2CCOCC2)c(C#N)c1
InChIInChI=1S/C25H24N4O4S/c1-17-7-8-20(28-25(30)21-5-3-4-6-23(21)34(2,31)32)14-22(17)19-13-18(15-26)24(27-16-19)29-9-11-33-12-10-29/h3-8,13-14,16H,9-12H2,1-2H3,(H,28,30)
InChIKeySCFAIGZSGPYQFI-UHFFFAOYSA-N
XLogP3.42
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E,2E)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-5-fluoro-4,5-dimethyl-2-[(methylideneamino)methylidene]hex-3-enamide
CID 139435426
N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130404989
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51324941
(Z,2E)-4-amino-2-(aminomethylidene)-5-cyano-N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-5-methylhex-3-enamide
CID 155216219
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridazine-4-carboxamide
CID 163513744
3-[5-cyano-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-4-methylbenzoic acid
CID 118946250
N-[4-methyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-morpholin-4-ylbenzamide
CID 24788668
N-[1-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]cyclopropyl]pyridine-4-carboxamide
CID 140809745
(Z,2E)-4-amino-2-(aminomethylidene)-N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-5-fluoro-5-methylhex-3-enamide
CID 155216212
2-fluoro-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425724
N-[4-methyl-3-[6-[2-(1-methylsulfonylpiperidin-4-yl)ethynyl]-5-morpholin-4-yl-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 164735139
ethane;N-[3-(6-hex-5-ynoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 142464641

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide (CID 130405118) is N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide is Cc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1-c1cnc(N2CCOCC2)c(C#N)c1.
What is the InChIKey of N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide?
The InChIKey is SCFAIGZSGPYQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-7-8-20(28-25(30)21-5-3-4-6-23(21)34(2,31)32)14-22(17)19-13-18(15-26)24(27-16-19)29-9-11-33-12-10-29/h3-8,13-14,16H,9-12H2,1-2H3,(H,28,30).
What are the key properties of N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide?
N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide has a molecular weight of 476.56 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 130405118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).