N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide

C24H30N6O4 — CID 71812787

IUPACN-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
SMILESCCC(CC)NC(=O)c1ccccc1Nc1ncnc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C24H30N6O4/c1-6-15(7-2)27-22(31)17-10-8-9-11-18(17)29-24-26-14-25-23(30-24)28-16-12-19(32-3)21(34-5)20(13-16)33-4/h8-15H,6-7H2,1-5H3,(H,27,31)(H2,25,26,28,29,30)
InChIKeyKZXBIVBKOGDNQW-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.30
Rot. Bonds11

About N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide

N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 71812787) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID71812787
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC NameN-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
SMILESCCC(CC)NC(=O)c1ccccc1Nc1ncnc(Nc2cc(OC)c(OC)c(OC)c2)n1
InChIInChI=1S/C24H30N6O4/c1-6-15(7-2)27-22(31)17-10-8-9-11-18(17)29-24-26-14-25-23(30-24)28-16-12-19(32-3)21(34-5)20(13-16)33-4/h8-15H,6-7H2,1-5H3,(H,27,31)(H2,25,26,28,29,30)
InChIKeyKZXBIVBKOGDNQW-UHFFFAOYSA-N
XLogP4.30
TPSA119.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide with MolForge

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Related Compounds

2-[[4-[4-(aminomethyl)anilino]-1,3,5-triazin-2-yl]amino]-N-propan-2-ylbenzamide
CID 71813145
4-N-quinolin-8-yl-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536693
4-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536125
2-[(2,2,2-trifluoroacetyl)amino]-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide
CID 58711991
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
4-[2-(4-methylbenzoyl)anilino]-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile
CID 68796093
N-[1-[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]pyrazol-3-yl]benzamide
CID 23536239
2-N-(4-phenyl-1,3-thiazol-2-yl)-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536645
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
2-[[2-(3-hydroxy-4,5-dimethoxyanilino)-5-(2-phenylethyl)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 118908158
3-[[4-(3-hydroxy-4,5-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzoic acid
CID 142056685
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide (CID 71812787) is N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide is CCC(CC)NC(=O)c1ccccc1Nc1ncnc(Nc2cc(OC)c(OC)c(OC)c2)n1.
What is the InChIKey of N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is KZXBIVBKOGDNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-6-15(7-2)27-22(31)17-10-8-9-11-18(17)29-24-26-14-25-23(30-24)28-16-12-19(32-3)21(34-5)20(13-16)33-4/h8-15H,6-7H2,1-5H3,(H,27,31)(H2,25,26,28,29,30).
What are the key properties of N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide?
N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 466.54 g/mol, XLogP of 4.30, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 71812787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).