N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide

C39H30N6O3 — CID 69454161

IUPACN-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide
SMILESCC(=O)N(c1nc(N(C(C)=O)c2cccc3ccccc23)nc(N(C(C)=O)c2cccc3ccccc23)n1)c1cccc2ccccc12
InChIInChI=1S/C39H30N6O3/c1-25(46)43(34-22-10-16-28-13-4-7-19-31(28)34)37-40-38(44(26(2)47)35-23-11-17-29-14-5-8-20-32(29)35)42-39(41-37)45(27(3)48)36-24-12-18-30-15-6-9-21-33(30)36/h4-24H,1-3H3
InChIKeyXJESQDXPYYZQCO-UHFFFAOYSA-N
MW630.71 g/mol
LogP8.39
Rot. Bonds6

About N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide

N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide (PubChem CID 69454161) has the molecular formula C39H30N6O3 and a molecular weight of 630.71 g/mol. Its IUPAC name is N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide
PubChem CID69454161
Molecular FormulaC39H30N6O3
Molecular Weight630.71 g/mol
Exact Mass630.24
IUPAC NameN-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide
SMILESCC(=O)N(c1nc(N(C(C)=O)c2cccc3ccccc23)nc(N(C(C)=O)c2cccc3ccccc23)n1)c1cccc2ccccc12
InChIInChI=1S/C39H30N6O3/c1-25(46)43(34-22-10-16-28-13-4-7-19-31(28)34)37-40-38(44(26(2)47)35-23-11-17-29-14-5-8-20-32(29)35)42-39(41-37)45(27(3)48)36-24-12-18-30-15-6-9-21-33(30)36/h4-24H,1-3H3
InChIKeyXJESQDXPYYZQCO-UHFFFAOYSA-N
XLogP8.39
TPSA99.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.71
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide 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 N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
diethyl 2-[2-[acetyl(naphthalen-1-yl)amino]ethyl]propanedioate
CID 177413692
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
N-methyl-N-naphthalen-1-yl-2-oxoacetamide
CID 115166156
N-methyl-N-naphthalen-1-ylbenzamide
CID 47382605
2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid
CID 82318728
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
3-amino-1-methyl-1-naphthalen-1-ylurea
CID 115192586
N-[3-[3-[acetyl(naphthalen-1-yl)amino]-1H-pyrazol-5-yl]cyclobutyl]benzamide
CID 91491573

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide (CID 69454161) is N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide is CC(=O)N(c1nc(N(C(C)=O)c2cccc3ccccc23)nc(N(C(C)=O)c2cccc3ccccc23)n1)c1cccc2ccccc12.
What is the InChIKey of N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is XJESQDXPYYZQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N6O3/c1-25(46)43(34-22-10-16-28-13-4-7-19-31(28)34)37-40-38(44(26(2)47)35-23-11-17-29-14-5-8-20-32(29)35)42-39(41-37)45(27(3)48)36-24-12-18-30-15-6-9-21-33(30)36/h4-24H,1-3H3.
What are the key properties of N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide?
N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 630.71 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis[acetyl(naphthalen-1-yl)amino]-1,3,5-triazin-2-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 69454161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).