N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide

C24H26N6O — CID 112800974

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC(C)c2cccc3ccccc23)n1
InChIInChI=1S/C24H26N6O/c1-15-12-16(2)27-24(26-15)30-22(13-17(3)29-30)28-23(31)14-25-18(4)20-11-7-9-19-8-5-6-10-21(19)20/h5-13,18,25H,14H2,1-4H3,(H,28,31)
InChIKeyZBTOATALGCLHQY-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.03
Rot. Bonds6

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide (PubChem CID 112800974) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide
PubChem CID112800974
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC(C)c2cccc3ccccc23)n1
InChIInChI=1S/C24H26N6O/c1-15-12-16(2)27-24(26-15)30-22(13-17(3)29-30)28-23(31)14-25-18(4)20-11-7-9-19-8-5-6-10-21(19)20/h5-13,18,25H,14H2,1-4H3,(H,28,31)
InChIKeyZBTOATALGCLHQY-UHFFFAOYSA-N
XLogP4.03
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 2334617
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396673
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1,2-diphenylethylamino)acetamide
CID 78826272
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 97337471
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
CID 112801450
N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396912
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
methyl (2R)-2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]amino]-3,3-dimethylbutanoate
CID 96536664
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396732
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
N-(2,4-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397239
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide (CID 112800974) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CNC(C)c2cccc3ccccc23)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide?
The InChIKey is ZBTOATALGCLHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-15-12-16(2)27-24(26-15)30-22(13-17(3)29-30)28-23(31)14-25-18(4)20-11-7-9-19-8-5-6-10-21(19)20/h5-13,18,25H,14H2,1-4H3,(H,28,31).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-naphthalen-1-ylethylamino)acetamide is sourced from PubChem (CID 112800974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).