N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide

C24H30N6O2S — CID 58707213

IUPACN,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCC(COCC(=O)N(C)C)CC4)s3)n2)c1
InChIInChI=1S/C24H30N6O2S/c1-17-7-10-25-22(13-17)28-21-6-4-5-19(27-21)20-14-26-24(33-20)30-11-8-18(9-12-30)15-32-16-23(31)29(2)3/h4-7,10,13-14,18H,8-9,11-12,15-16H2,1-3H3,(H,25,27,28)
InChIKeySHDJDVKNLMNLJV-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.97
Rot. Bonds8

About N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide

N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide (PubChem CID 58707213) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide
PubChem CID58707213
Molecular FormulaC24H30N6O2S
Molecular Weight466.61 g/mol
Exact Mass466.22
IUPAC NameN,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide
SMILESCc1ccnc(Nc2cccc(-c3cnc(N4CCC(COCC(=O)N(C)C)CC4)s3)n2)c1
InChIInChI=1S/C24H30N6O2S/c1-17-7-10-25-22(13-17)28-21-6-4-5-19(27-21)20-14-26-24(33-20)30-11-8-18(9-12-30)15-32-16-23(31)29(2)3/h4-7,10,13-14,18H,8-9,11-12,15-16H2,1-3H3,(H,25,27,28)
InChIKeySHDJDVKNLMNLJV-UHFFFAOYSA-N
XLogP3.97
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide (CID 58707213) is N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide is Cc1ccnc(Nc2cccc(-c3cnc(N4CCC(COCC(=O)N(C)C)CC4)s3)n2)c1.
What is the InChIKey of N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide?
The InChIKey is SHDJDVKNLMNLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-17-7-10-25-22(13-17)28-21-6-4-5-19(27-21)20-14-26-24(33-20)30-11-8-18(9-12-30)15-32-16-23(31)29(2)3/h4-7,10,13-14,18H,8-9,11-12,15-16H2,1-3H3,(H,25,27,28).
What are the key properties of N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide?
N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide has a molecular weight of 466.61 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-4-yl]methoxy]acetamide is sourced from PubChem (CID 58707213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).