N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide

C26H31N5O — CID 57276312

IUPACN-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide
SMILESCCC(N1CCN(C)CC1)N(c1ccccc1)c1ncccc1NC(=O)c1ccccc1
InChIInChI=1S/C26H31N5O/c1-3-24(30-19-17-29(2)18-20-30)31(22-13-8-5-9-14-22)25-23(15-10-16-27-25)28-26(32)21-11-6-4-7-12-21/h4-16,24H,3,17-20H2,1-2H3,(H,28,32)
InChIKeyUEKZTUAHDVNFGO-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.46
Rot. Bonds7

About N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide

N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide (PubChem CID 57276312) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide
PubChem CID57276312
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide
SMILESCCC(N1CCN(C)CC1)N(c1ccccc1)c1ncccc1NC(=O)c1ccccc1
InChIInChI=1S/C26H31N5O/c1-3-24(30-19-17-29(2)18-20-30)31(22-13-8-5-9-14-22)25-23(15-10-16-27-25)28-26(32)21-11-6-4-7-12-21/h4-16,24H,3,17-20H2,1-2H3,(H,28,32)
InChIKeyUEKZTUAHDVNFGO-UHFFFAOYSA-N
XLogP4.46
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide 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 N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide?
The IUPAC name of N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide (CID 57276312) is N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide?
The canonical SMILES for N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide is CCC(N1CCN(C)CC1)N(c1ccccc1)c1ncccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide?
The InChIKey is UEKZTUAHDVNFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-3-24(30-19-17-29(2)18-20-30)31(22-13-8-5-9-14-22)25-23(15-10-16-27-25)28-26(32)21-11-6-4-7-12-21/h4-16,24H,3,17-20H2,1-2H3,(H,28,32).
What are the key properties of N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide?
N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide has a molecular weight of 429.57 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-[1-(4-methylpiperazin-1-yl)propyl]anilino]-3-pyridinyl]benzamide is sourced from PubChem (CID 57276312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).