1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone

C28H29N5O — CID 118634349

IUPAC1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc3ccnc(NCc4ccc(-c5cccc(C)c5)cc4)c3cn2)CC1
InChIInChI=1S/C28H29N5O/c1-20-4-3-5-24(16-20)23-8-6-22(7-9-23)18-31-28-26-19-30-27(17-25(26)10-11-29-28)33-14-12-32(13-15-33)21(2)34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,29,31)
InChIKeyWEMVNDBYLXXPEJ-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.89
Rot. Bonds5

About 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone

1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone (PubChem CID 118634349) has the molecular formula C28H29N5O and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone
PubChem CID118634349
Molecular FormulaC28H29N5O
Molecular Weight451.57 g/mol
Exact Mass451.24
IUPAC Name1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc3ccnc(NCc4ccc(-c5cccc(C)c5)cc4)c3cn2)CC1
InChIInChI=1S/C28H29N5O/c1-20-4-3-5-24(16-20)23-8-6-22(7-9-23)18-31-28-26-19-30-27(17-25(26)10-11-29-28)33-14-12-32(13-15-33)21(2)34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,29,31)
InChIKeyWEMVNDBYLXXPEJ-UHFFFAOYSA-N
XLogP4.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone 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

methyl 4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazine-1-carboxylate
CID 118634364
6-(2-methylmorpholin-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine
CID 118634351
N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridin-3-yl-2,7-naphthyridin-1-amine
CID 118634299
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1-oxo-1,4-thiazinan-4-yl)-2,7-naphthyridin-1-amine
CID 144727335
6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 118043574
N-[[5-methyl-6-(3-methylphenyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 118634361
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
CID 71617873
1-[4-[5-[(3-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947003
N-[4-[[6-[[4-(3-methylphenyl)phenyl]methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]acetamide
CID 20872337
1-[4-[5-[(4-methylphenyl)methylamino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947004
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858393
furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112890442

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone (CID 118634349) is 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc3ccnc(NCc4ccc(-c5cccc(C)c5)cc4)c3cn2)CC1.
What is the InChIKey of 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is WEMVNDBYLXXPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O/c1-20-4-3-5-24(16-20)23-8-6-22(7-9-23)18-31-28-26-19-30-27(17-25(26)10-11-29-28)33-14-12-32(13-15-33)21(2)34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,29,31).
What are the key properties of 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone?
1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 451.57 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-[[4-(3-methylphenyl)phenyl]methylamino]-2,7-naphthyridin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 118634349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).