5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide

C22H22N6O3S — CID 160909331

IUPAC5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nsc2Cc2ccc(C#N)cn2)c(N2CCOCC2)n1
InChIInChI=1S/C22H22N6O3S/c1-14-20(18(32-27-14)11-16-4-3-15(12-23)13-24-16)22(29)25-17-5-6-19(30-2)26-21(17)28-7-9-31-10-8-28/h3-6,13H,7-11H2,1-2H3,(H,25,29)
InChIKeySQOHPGUOOYTKQG-UHFFFAOYSA-N
MW450.52 g/mol
LogP2.80
Rot. Bonds6

About 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide

5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 160909331) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID160909331
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC Name5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)nsc2Cc2ccc(C#N)cn2)c(N2CCOCC2)n1
InChIInChI=1S/C22H22N6O3S/c1-14-20(18(32-27-14)11-16-4-3-15(12-23)13-24-16)22(29)25-17-5-6-19(30-2)26-21(17)28-7-9-31-10-8-28/h3-6,13H,7-11H2,1-2H3,(H,25,29)
InChIKeySQOHPGUOOYTKQG-UHFFFAOYSA-N
XLogP2.80
TPSA113.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-(3-methylsulfonylphenyl)-1,2-thiazole-4-carboxamide
CID 159092776
5-[(5-cyano-2-pyridinyl)methyl]-3-methyl-N-[6-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide
CID 160949852
(1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 7219186
6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 2826406
N-(2-methoxyphenyl)-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925246
N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104849120
3-methyl-5-(methylamino)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2-thiazole-4-carboxamide
CID 38544423
5-[(4-cyano-2-pyridinyl)methyl]-3-methyl-N-[3-(3-methylbutanoyl)phenyl]-1,2-thiazole-4-carboxamide
CID 160734884
5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 118278853
N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343519
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide
CID 159245957
3-[[5-[[5-[(5-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]-2-pyridinyl]oxy]propylcarbamic acid
CID 118278750

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide (CID 160909331) is 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide is COc1ccc(NC(=O)c2c(C)nsc2Cc2ccc(C#N)cn2)c(N2CCOCC2)n1.
What is the InChIKey of 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is SQOHPGUOOYTKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S/c1-14-20(18(32-27-14)11-16-4-3-15(12-23)13-24-16)22(29)25-17-5-6-19(30-2)26-21(17)28-7-9-31-10-8-28/h3-6,13H,7-11H2,1-2H3,(H,25,29).
What are the key properties of 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide?
5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 160909331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).