3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide

C24H27N5O2 — CID 68784253

IUPAC3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(N(C)C(=O)C(C)C)c2)nc1
InChIInChI=1S/C24H27N5O2/c1-15(2)24(31)29(5)21-9-18(22-7-6-16(3)11-27-22)8-19(10-21)23(30)28-14-20-13-25-17(4)12-26-20/h6-13,15H,14H2,1-5H3,(H,28,30)
InChIKeyZARPXWHOFLXANE-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.70
Rot. Bonds6

About 3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide

3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 68784253) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID68784253
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(N(C)C(=O)C(C)C)c2)nc1
InChIInChI=1S/C24H27N5O2/c1-15(2)24(31)29(5)21-9-18(22-7-6-16(3)11-27-22)8-19(10-21)23(30)28-14-20-13-25-17(4)12-26-20/h6-13,15H,14H2,1-5H3,(H,28,30)
InChIKeyZARPXWHOFLXANE-UHFFFAOYSA-N
XLogP3.70
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide (CID 68784253) is 3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(N(C)C(=O)C(C)C)c2)nc1.
What is the InChIKey of 3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is ZARPXWHOFLXANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15(2)24(31)29(5)21-9-18(22-7-6-16(3)11-27-22)8-19(10-21)23(30)28-14-20-13-25-17(4)12-26-20/h6-13,15H,14H2,1-5H3,(H,28,30).
What are the key properties of 3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide?
3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylpropanoyl)amino]-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 68784253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).