N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide

C25H35N5O2 — CID 55744182

IUPACN-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1
InChIInChI=1S/C25H35N5O2/c1-4-19(3)23(28-24(31)21-9-7-6-8-10-21)25(32)27-18-20-11-12-22(26-17-20)30-15-13-29(5-2)14-16-30/h6-12,17,19,23H,4-5,13-16,18H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyFPXXAWHBYVQBGU-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.68
Rot. Bonds9

About N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 55744182) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID55744182
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC NameN-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1
InChIInChI=1S/C25H35N5O2/c1-4-19(3)23(28-24(31)21-9-7-6-8-10-21)25(32)27-18-20-11-12-22(26-17-20)30-15-13-29(5-2)14-16-30/h6-12,17,19,23H,4-5,13-16,18H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyFPXXAWHBYVQBGU-UHFFFAOYSA-N
XLogP2.68
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2R,3S)-3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxopentan-2-yl]benzamide
CID 25484039
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
4-fluoro-N-[3-methyl-1-oxo-1-[(6-piperidin-1-yl-3-pyridinyl)methylamino]butan-2-yl]benzamide
CID 55735273
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51143908
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
N-[1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55786036
1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000568
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55744485
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55744150

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 55744182) is N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1.
What is the InChIKey of N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is FPXXAWHBYVQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-4-19(3)23(28-24(31)21-9-7-6-8-10-21)25(32)27-18-20-11-12-22(26-17-20)30-15-13-29(5-2)14-16-30/h6-12,17,19,23H,4-5,13-16,18H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 437.59 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55744182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).