N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide

C29H32N4O2 — CID 54040460

IUPACN-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide
SMILESCOc1ccc(N2C=CC(c3ccc(NC(C)=O)c4ccccc34)=CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C29H32N4O2/c1-21(34)30-27-10-9-24(25-6-4-5-7-26(25)27)22-12-14-32(15-13-22)23-8-11-29(35-3)28(20-23)33-18-16-31(2)17-19-33/h4-14,20H,15-19H2,1-3H3,(H,30,34)
InChIKeyLLYDYHGFCOHCJU-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.98
Rot. Bonds5

About N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide

N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide (PubChem CID 54040460) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide
PubChem CID54040460
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide
SMILESCOc1ccc(N2C=CC(c3ccc(NC(C)=O)c4ccccc34)=CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C29H32N4O2/c1-21(34)30-27-10-9-24(25-6-4-5-7-26(25)27)22-12-14-32(15-13-22)23-8-11-29(35-3)28(20-23)33-18-16-31(2)17-19-33/h4-14,20H,15-19H2,1-3H3,(H,30,34)
InChIKeyLLYDYHGFCOHCJU-UHFFFAOYSA-N
XLogP4.98
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide 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

1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 53358105
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]acetamide
CID 44590474
3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole
CID 141072209
1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 22118884
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine
CID 140993283
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide
CID 59454307
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
2-acetamido-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
CID 50782983

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide?
The IUPAC name of N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide (CID 54040460) is N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide.
What is the SMILES notation for N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide?
The canonical SMILES for N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide is COc1ccc(N2C=CC(c3ccc(NC(C)=O)c4ccccc34)=CC2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide?
The InChIKey is LLYDYHGFCOHCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-21(34)30-27-10-9-24(25-6-4-5-7-26(25)27)22-12-14-32(15-13-22)23-8-11-29(35-3)28(20-23)33-18-16-31(2)17-19-33/h4-14,20H,15-19H2,1-3H3,(H,30,34).
What are the key properties of N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide?
N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide has a molecular weight of 468.60 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide is sourced from PubChem (CID 54040460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).