2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide

C24H32N4O3 — CID 46084230

IUPAC2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCCCC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3OCC)cn2)CC1
InChIInChI=1S/C24H32N4O3/c1-4-8-18(3)24(30)28-15-13-27(14-16-28)22-12-11-19(17-25-22)26-23(29)20-9-6-7-10-21(20)31-5-2/h6-7,9-12,17-18H,4-5,8,13-16H2,1-3H3,(H,26,29)
InChIKeyPUNYUSLYRKRECZ-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.82
Rot. Bonds8

About 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide

2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 46084230) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID46084230
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCCCC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3OCC)cn2)CC1
InChIInChI=1S/C24H32N4O3/c1-4-8-18(3)24(30)28-15-13-27(14-16-28)22-12-11-19(17-25-22)26-23(29)20-9-6-7-10-21(20)31-5-2/h6-7,9-12,17-18H,4-5,8,13-16H2,1-3H3,(H,26,29)
InChIKeyPUNYUSLYRKRECZ-UHFFFAOYSA-N
XLogP3.82
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-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

Related Compounds

2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 69448676
2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55728637
N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041984
2-fluoro-N-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857382
N-(4-butan-2-ylphenyl)-2-ethoxybenzamide
CID 2852282
2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24658178
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30548406

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 46084230) is 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide is CCCC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3OCC)cn2)CC1.
What is the InChIKey of 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is PUNYUSLYRKRECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-8-18(3)24(30)28-15-13-27(14-16-28)22-12-11-19(17-25-22)26-23(29)20-9-6-7-10-21(20)31-5-2/h6-7,9-12,17-18H,4-5,8,13-16H2,1-3H3,(H,26,29).
What are the key properties of 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 424.55 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 46084230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).