4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C21H24N6OS — CID 58706817

IUPAC4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCC(C)(C(N)=O)CC4)s3)n2)c1
InChIInChI=1S/C21H24N6OS/c1-14-6-9-23-18(12-14)26-17-5-3-4-15(25-17)16-13-24-20(29-16)27-10-7-21(2,8-11-27)19(22)28/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,22,28)(H,23,25,26)
InChIKeyWGZACGFTQUBILN-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.74
Rot. Bonds5

About 4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 58706817) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID58706817
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCC(C)(C(N)=O)CC4)s3)n2)c1
InChIInChI=1S/C21H24N6OS/c1-14-6-9-23-18(12-14)26-17-5-3-4-15(25-17)16-13-24-20(29-16)27-10-7-21(2,8-11-27)19(22)28/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,22,28)(H,23,25,26)
InChIKeyWGZACGFTQUBILN-UHFFFAOYSA-N
XLogP3.74
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 58706817) is 4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1ccnc(Nc2cccc(-c3cnc(N4CCC(C)(C(N)=O)CC4)s3)n2)c1.
What is the InChIKey of 4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is WGZACGFTQUBILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-14-6-9-23-18(12-14)26-17-5-3-4-15(25-17)16-13-24-20(29-16)27-10-7-21(2,8-11-27)19(22)28/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H2,22,28)(H,23,25,26).
What are the key properties of 4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 58706817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).