2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide

C23H29N7O — CID 69349018

IUPAC2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(N2CCCCC2CC(=O)NCc2ccccn2)nc(CCn2ccnc2)n1
InChIInChI=1S/C23H29N7O/c1-18-14-22(28-21(27-18)8-12-29-13-10-24-17-29)30-11-5-3-7-20(30)15-23(31)26-16-19-6-2-4-9-25-19/h2,4,6,9-10,13-14,17,20H,3,5,7-8,11-12,15-16H2,1H3,(H,26,31)
InChIKeyWSHWDKGBCYOMKM-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.68
Rot. Bonds8

About 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 69349018) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID69349018
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC Name2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cc(N2CCCCC2CC(=O)NCc2ccccn2)nc(CCn2ccnc2)n1
InChIInChI=1S/C23H29N7O/c1-18-14-22(28-21(27-18)8-12-29-13-10-24-17-29)30-11-5-3-7-20(30)15-23(31)26-16-19-6-2-4-9-25-19/h2,4,6,9-10,13-14,17,20H,3,5,7-8,11-12,15-16H2,1H3,(H,26,31)
InChIKeyWSHWDKGBCYOMKM-UHFFFAOYSA-N
XLogP2.68
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 69347703
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
N-[2-[4-(aminomethyl)phenyl]ethyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 174355337
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 22487804
N-[(2,4-dichlorophenyl)methyl]-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 54171488
2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 69349281
N-(2-cyclohex-2-en-1-ylethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 174356290
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 26562145
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42065143
ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 56883612
N-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 54214020
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56780375

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 69349018) is 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(N2CCCCC2CC(=O)NCc2ccccn2)nc(CCn2ccnc2)n1.
What is the InChIKey of 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is WSHWDKGBCYOMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-18-14-22(28-21(27-18)8-12-29-13-10-24-17-29)30-11-5-3-7-20(30)15-23(31)26-16-19-6-2-4-9-25-19/h2,4,6,9-10,13-14,17,20H,3,5,7-8,11-12,15-16H2,1H3,(H,26,31).
What are the key properties of 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-imidazol-1-ylethyl)-6-methylpyrimidin-4-yl]piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 69349018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).