3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one

C21H24N4O — CID 58081228

IUPAC3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one
SMILESCc1cc(N)nc(C)c1CCC(=O)c1cn(Cc2ccccc2)nc1C
InChIInChI=1S/C21H24N4O/c1-14-11-21(22)23-15(2)18(14)9-10-20(26)19-13-25(24-16(19)3)12-17-7-5-4-6-8-17/h4-8,11,13H,9-10,12H2,1-3H3,(H2,22,23)
InChIKeyAWSJADILHZXVIV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.65
Rot. Bonds6

About 3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one

3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one (PubChem CID 58081228) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one
PubChem CID58081228
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one
SMILESCc1cc(N)nc(C)c1CCC(=O)c1cn(Cc2ccccc2)nc1C
InChIInChI=1S/C21H24N4O/c1-14-11-21(22)23-15(2)18(14)9-10-20(26)19-13-25(24-16(19)3)12-17-7-5-4-6-8-17/h4-8,11,13H,9-10,12H2,1-3H3,(H2,22,23)
InChIKeyAWSJADILHZXVIV-UHFFFAOYSA-N
XLogP3.65
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-5-methyltriazol-4-yl)propan-1-one
CID 58081295
1-(1-benzyl-3-methylpyrazol-4-yl)-2-dimethoxyphosphorylethanone
CID 86609936
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 134178248
3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-[1-(1,3-benzothiazol-2-ylmethyl)pyrazol-4-yl]propan-1-one
CID 58081348
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzylpyrrole-3-carboxamide
CID 56836928
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-benzyl-5-methyltriazole-4-carboxamide
CID 66723765
3-methyl-1-[(3-methylphenyl)methyl]pyrazole-4-carboxylic acid
CID 63274913
N-[(2S)-2-amino-2-phenylethyl]-1-[(3-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 99815533
ethyl 4-[1-[(3-chlorophenyl)methyl]-3-methylpyrazol-4-yl]-2,4-dioxobutanoate
CID 70014300
4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
CID 138658473
ethyl 1-benzyl-4-chloropyrazole-3-carboxylate
CID 130298994
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56836487

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one (CID 58081228) is 3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one is Cc1cc(N)nc(C)c1CCC(=O)c1cn(Cc2ccccc2)nc1C.
What is the InChIKey of 3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one?
The InChIKey is AWSJADILHZXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-11-21(22)23-15(2)18(14)9-10-20(26)19-13-25(24-16(19)3)12-17-7-5-4-6-8-17/h4-8,11,13H,9-10,12H2,1-3H3,(H2,22,23).
What are the key properties of 3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one?
3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2,4-dimethyl-3-pyridinyl)-1-(1-benzyl-3-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 58081228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).