N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide

C28H36N4O2 — CID 143300656

IUPACN-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1nc(OCCCCN2CCN(c3cccc4ccccc34)CC2)ccc1C
InChIInChI=1S/C28H36N4O2/c1-3-9-26(33)29-28-22(2)14-15-27(30-28)34-21-7-6-16-31-17-19-32(20-18-31)25-13-8-11-23-10-4-5-12-24(23)25/h4-5,8,10-15H,3,6-7,9,16-21H2,1-2H3,(H,29,30,33)
InChIKeyAJKLUMWNSRVNOH-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.26
Rot. Bonds10

About N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide

N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide (PubChem CID 143300656) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide
PubChem CID143300656
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC NameN-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1nc(OCCCCN2CCN(c3cccc4ccccc34)CC2)ccc1C
InChIInChI=1S/C28H36N4O2/c1-3-9-26(33)29-28-22(2)14-15-27(30-28)34-21-7-6-16-31-17-19-32(20-18-31)25-13-8-11-23-10-4-5-12-24(23)25/h4-5,8,10-15H,3,6-7,9,16-21H2,1-2H3,(H,29,30,33)
InChIKeyAJKLUMWNSRVNOH-UHFFFAOYSA-N
XLogP5.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide 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

tert-butyl N-[[2-(2,2-dimethylpropanoylamino)-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-3-pyridinyl]methyl]carbamate
CID 69418493
tert-butyl N-[[2-amino-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-3-pyridinyl]methyl]carbamate
CID 69419386
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
[7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl dodecanoate
CID 58109103
4,4-dimethyl-7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-1H-pyrido[2,3-d][1,3]oxazin-2-one
CID 21073347
[7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl 2,2-dimethylpentanoate
CID 58096653
methylsulfanyl [7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl carbonate
CID 129274152
[2-methylidene-7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1,8-naphthyridin-1-yl]methyl 3-methylbutanoate
CID 166691443
[7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl]methyl 2-methylphosphanylacetate
CID 129274156
7-[4-[4-(3-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
CID 21073666
2-methyl-3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]naphthalene-1,4-dione
CID 130182218
3-(4-naphthalen-1-ylpiperazin-1-yl)propyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 23176306

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide?
The IUPAC name of N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide (CID 143300656) is N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide.
What is the SMILES notation for N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide?
The canonical SMILES for N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide is CCCC(=O)Nc1nc(OCCCCN2CCN(c3cccc4ccccc34)CC2)ccc1C.
What is the InChIKey of N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide?
The InChIKey is AJKLUMWNSRVNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-3-9-26(33)29-28-22(2)14-15-27(30-28)34-21-7-6-16-31-17-19-32(20-18-31)25-13-8-11-23-10-4-5-12-24(23)25/h4-5,8,10-15H,3,6-7,9,16-21H2,1-2H3,(H,29,30,33).
What are the key properties of N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide?
N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide has a molecular weight of 460.62 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-6-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-2-pyridinyl]butanamide is sourced from PubChem (CID 143300656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).