3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide

C20H25N5O2 — CID 87019386

IUPAC3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)ccc1C
InChIInChI=1S/C20H25N5O2/c1-14-4-5-16(12-18(14)22-15(2)26)20(27)23-19-7-6-17(13-21-19)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyBWVBDHOMUURGPH-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.35
Rot. Bonds4

About 3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide

3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide (PubChem CID 87019386) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
PubChem CID87019386
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)ccc1C
InChIInChI=1S/C20H25N5O2/c1-14-4-5-16(12-18(14)22-15(2)26)20(27)23-19-7-6-17(13-21-19)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyBWVBDHOMUURGPH-UHFFFAOYSA-N
XLogP2.35
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of 3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide (CID 87019386) is 3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide is CC(=O)Nc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)ccc1C.
What is the InChIKey of 3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
The InChIKey is BWVBDHOMUURGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-4-5-16(12-18(14)22-15(2)26)20(27)23-19-7-6-17(13-21-19)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)(H,21,23,27).
What are the key properties of 3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide?
3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 87019386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).