5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide

C21H21N7O2S — CID 118278742

IUPAC5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2ccc(C#N)cn2)c1C(=O)Nc1ccc(OC2CCCNC2)nc1
InChIInChI=1S/C21H21N7O2S/c1-13-19(21(31-28-13)27-17-6-4-14(9-22)10-24-17)20(29)26-15-5-7-18(25-11-15)30-16-3-2-8-23-12-16/h4-7,10-11,16,23H,2-3,8,12H2,1H3,(H,24,27)(H,26,29)
InChIKeySQLQTUGDWMYGQN-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.24
Rot. Bonds6

About 5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide

5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide (PubChem CID 118278742) has the molecular formula C21H21N7O2S and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide
PubChem CID118278742
Molecular FormulaC21H21N7O2S
Molecular Weight435.51 g/mol
Exact Mass435.15
IUPAC Name5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Nc2ccc(C#N)cn2)c1C(=O)Nc1ccc(OC2CCCNC2)nc1
InChIInChI=1S/C21H21N7O2S/c1-13-19(21(31-28-13)27-17-6-4-14(9-22)10-24-17)20(29)26-15-5-7-18(25-11-15)30-16-3-2-8-23-12-16/h4-7,10-11,16,23H,2-3,8,12H2,1H3,(H,24,27)(H,26,29)
InChIKeySQLQTUGDWMYGQN-UHFFFAOYSA-N
XLogP3.24
TPSA124.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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
3-[[5-[[5-[(5-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]-2-pyridinyl]oxy]propylcarbamic acid
CID 118278750
N-[6-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278640
3-methyl-N-[6-[[(3S)-pyrrolidin-3-yl]methoxy]-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278620
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
5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide
CID 123597922
N-[6-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118278788
[4-[[5-[(4-cyano-2-pyridinyl)amino]-3-methyl-1,2-thiazole-4-carbonyl]amino]phenyl]carbamic acid
CID 118278844
N-[6-[(3R)-3-fluoro-1-propylpiperidin-4-yl]oxy-3-pyridinyl]-3-methyl-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 144895083
5-methyl-2-[(3S)-piperidin-3-yl]oxypyridine
CID 66246612
3-methyl-N-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 118284994
3-methyl-N-(6-prop-2-enoxy-3-pyridinyl)-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 129059832

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide (CID 118278742) is 5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2ccc(C#N)cn2)c1C(=O)Nc1ccc(OC2CCCNC2)nc1.
What is the InChIKey of 5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide?
The InChIKey is SQLQTUGDWMYGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2S/c1-13-19(21(31-28-13)27-17-6-4-14(9-22)10-24-17)20(29)26-15-5-7-18(25-11-15)30-16-3-2-8-23-12-16/h4-7,10-11,16,23H,2-3,8,12H2,1H3,(H,24,27)(H,26,29).
What are the key properties of 5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide?
5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-2-pyridinyl)amino]-3-methyl-N-(6-piperidin-3-yloxy-3-pyridinyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118278742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).