2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide

C26H30N6O2 — CID 58447718

IUPAC2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1
InChIInChI=1S/C26H30N6O2/c1-4-25(34)32-11-9-31(10-12-32)22-5-6-23(28-17-22)30-24(33)15-20-13-18(2)26(29-16-20)21-7-8-27-19(3)14-21/h5-8,13-14,16-17H,4,9-12,15H2,1-3H3,(H,28,30,33)
InChIKeyVYYFTOBILIBFRZ-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.40
Rot. Bonds6

About 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide

2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide (PubChem CID 58447718) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide
PubChem CID58447718
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1
InChIInChI=1S/C26H30N6O2/c1-4-25(34)32-11-9-31(10-12-32)22-5-6-23(28-17-22)30-24(33)15-20-13-18(2)26(29-16-20)21-7-8-27-19(3)14-21/h5-8,13-14,16-17H,4,9-12,15H2,1-3H3,(H,28,30,33)
InChIKeyVYYFTOBILIBFRZ-UHFFFAOYSA-N
XLogP3.40
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide (CID 58447718) is 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide is CCC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C)c4)c(C)c3)nc2)CC1.
What is the InChIKey of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide?
The InChIKey is VYYFTOBILIBFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-4-25(34)32-11-9-31(10-12-32)22-5-6-23(28-17-22)30-24(33)15-20-13-18(2)26(29-16-20)21-7-8-27-19(3)14-21/h5-8,13-14,16-17H,4,9-12,15H2,1-3H3,(H,28,30,33).
What are the key properties of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide?
2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide has a molecular weight of 458.57 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-[5-(4-propanoylpiperazin-1-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 58447718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).