6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide

C21H24N6OS — CID 175659527

IUPAC6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccn2)nc(C2CCCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C21H24N6OS/c1-14-11-17(21(28)26-19-8-3-5-9-22-19)25-20(23-14)18-7-4-6-10-27(18)12-16-13-29-15(2)24-16/h3,5,8-9,11,13,18H,4,6-7,10,12H2,1-2H3,(H,22,26,28)
InChIKeyDHLSOJGUIKCBPZ-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.92
Rot. Bonds5

About 6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide

6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide (PubChem CID 175659527) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide
PubChem CID175659527
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccn2)nc(C2CCCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C21H24N6OS/c1-14-11-17(21(28)26-19-8-3-5-9-22-19)25-20(23-14)18-7-4-6-10-27(18)12-16-13-29-15(2)24-16/h3,5,8-9,11,13,18H,4,6-7,10,12H2,1-2H3,(H,22,26,28)
InChIKeyDHLSOJGUIKCBPZ-UHFFFAOYSA-N
XLogP3.92
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-amine
CID 175661324
N-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 175659834
5-methyl-N-[6-methyl-2-[(2S)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 175658571
N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124958167
N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124946273
6-methyl-N-pyrimidin-2-yl-2-[1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]pyrimidin-4-amine
CID 110111594
2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118311
6-methyl-2-(1-methylsulfonylpiperidin-2-yl)-N-pyridin-2-ylpyrimidin-4-amine
CID 110269570
1-[2-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 132948528
6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 124986410
4-tert-butyl-N-[4-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 132772107

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide (CID 175659527) is 6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccn2)nc(C2CCCCN2Cc2csc(C)n2)n1.
What is the InChIKey of 6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide?
The InChIKey is DHLSOJGUIKCBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-14-11-17(21(28)26-19-8-3-5-9-22-19)25-20(23-14)18-7-4-6-10-27(18)12-16-13-29-15(2)24-16/h3,5,8-9,11,13,18H,4,6-7,10,12H2,1-2H3,(H,22,26,28).
What are the key properties of 6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide?
6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]-N-pyridin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 175659527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).