4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide

C22H23N5O2 — CID 11646783

IUPAC4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1
InChIInChI=1S/C22H23N5O2/c1-26-10-12-27(13-11-26)19-4-2-17(3-5-19)21(28)25-20-14-18(15-24-22(20)29)16-6-8-23-9-7-16/h2-9,14-15H,10-13H2,1H3,(H,24,29)(H,25,28)
InChIKeyGPWFEKSGAWXQOP-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.44
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide

4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide (PubChem CID 11646783) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
PubChem CID11646783
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1
InChIInChI=1S/C22H23N5O2/c1-26-10-12-27(13-11-26)19-4-2-17(3-5-19)21(28)25-20-14-18(15-24-22(20)29)16-6-8-23-9-7-16/h2-9,14-15H,10-13H2,1H3,(H,24,29)(H,25,28)
InChIKeyGPWFEKSGAWXQOP-UHFFFAOYSA-N
XLogP2.44
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide (CID 11646783) is 4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
The InChIKey is GPWFEKSGAWXQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26-10-12-27(13-11-26)19-4-2-17(3-5-19)21(28)25-20-14-18(15-24-22(20)29)16-6-8-23-9-7-16/h2-9,14-15H,10-13H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide?
4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 11646783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).