5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide

C23H25N5O2 — CID 172895620

IUPAC5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1ccc(O)c(-c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)nc2)c1
InChIInChI=1S/C23H25N5O2/c1-16-3-7-21(29)19(13-16)17-4-6-20(24-14-17)23(30)26-22-8-5-18(15-25-22)28-11-9-27(2)10-12-28/h3-8,13-15,29H,9-12H2,1-2H3,(H,25,26,30)
InChIKeyCQMABAMSXWARAD-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.16
Rot. Bonds4

About 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide

5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 172895620) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID172895620
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1ccc(O)c(-c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)nc2)c1
InChIInChI=1S/C23H25N5O2/c1-16-3-7-21(29)19(13-16)17-4-6-20(24-14-17)23(30)26-22-8-5-18(15-25-22)28-11-9-27(2)10-12-28/h3-8,13-15,29H,9-12H2,1-2H3,(H,25,26,30)
InChIKeyCQMABAMSXWARAD-UHFFFAOYSA-N
XLogP3.16
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide 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 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide (CID 172895620) is 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide is Cc1ccc(O)c(-c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)nc2)c1.
What is the InChIKey of 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is CQMABAMSXWARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-3-7-21(29)19(13-16)17-4-6-20(24-14-17)23(30)26-22-8-5-18(15-25-22)28-11-9-27(2)10-12-28/h3-8,13-15,29H,9-12H2,1-2H3,(H,25,26,30).
What are the key properties of 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide?
5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 172895620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).