6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide

C27H32N4O2 — CID 68738298

IUPAC6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C27H32N4O2/c1-3-6-20(2)29-27(33)24-11-12-25(28-19-24)30-13-15-31(16-14-30)26(32)18-21-9-10-22-7-4-5-8-23(22)17-21/h4-5,7-12,17,19-20H,3,6,13-16,18H2,1-2H3,(H,29,33)
InChIKeyHJGGVEWZKARLKY-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.04
Rot. Bonds7

About 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide

6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide (PubChem CID 68738298) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
PubChem CID68738298
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C27H32N4O2/c1-3-6-20(2)29-27(33)24-11-12-25(28-19-24)30-13-15-31(16-14-30)26(32)18-21-9-10-22-7-4-5-8-23(22)17-21/h4-5,7-12,17,19-20H,3,6,13-16,18H2,1-2H3,(H,29,33)
InChIKeyHJGGVEWZKARLKY-UHFFFAOYSA-N
XLogP4.04
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide 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

ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783852
N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739288
N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737088
6-[4-[2-[4-[(1S)-cyclobut-2-en-1-yl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
CID 143404324
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68740844
N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737746
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 77089008
6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 68737824
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide (CID 68738298) is 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide is CCCC(C)NC(=O)c1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide?
The InChIKey is HJGGVEWZKARLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-3-6-20(2)29-27(33)24-11-12-25(28-19-24)30-13-15-31(16-14-30)26(32)18-21-9-10-22-7-4-5-8-23(22)17-21/h4-5,7-12,17,19-20H,3,6,13-16,18H2,1-2H3,(H,29,33).
What are the key properties of 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide?
6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 68738298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).