2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide

C21H29N3O — CID 53325235

IUPAC2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide
SMILESCNC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1
InChIInChI=1S/C21H29N3O/c1-13(2)10-19-18(12-22)21(16-8-6-14(3)7-9-16)17(15(4)24-19)11-20(25)23-5/h6-9,13H,10-12,22H2,1-5H3,(H,23,25)
InChIKeyXRLVELTWECXFDR-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.31
Rot. Bonds6

About 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide

2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide (PubChem CID 53325235) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide
PubChem CID53325235
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide
SMILESCNC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1
InChIInChI=1S/C21H29N3O/c1-13(2)10-19-18(12-22)21(16-8-6-14(3)7-9-16)17(15(4)24-19)11-20(25)23-5/h6-9,13H,10-12,22H2,1-5H3,(H,23,25)
InChIKeyXRLVELTWECXFDR-UHFFFAOYSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide (CID 53325235) is 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide is CNC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1.
What is the InChIKey of 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide?
The InChIKey is XRLVELTWECXFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-13(2)10-19-18(12-22)21(16-8-6-14(3)7-9-16)17(15(4)24-19)11-20(25)23-5/h6-9,13H,10-12,22H2,1-5H3,(H,23,25).
What are the key properties of 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide?
2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide has a molecular weight of 339.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 53325235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).