N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C24H29N9O2 — CID 1383394

IUPACN-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(Nc3ccc(NC(C)=O)cc3)nc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C24H29N9O2/c1-16(34)25-18-4-8-20(9-5-18)27-22-29-23(28-21-10-6-19(7-11-21)26-17(2)35)31-24(30-22)33-14-12-32(3)13-15-33/h4-11H,12-15H2,1-3H3,(H,25,34)(H,26,35)(H2,27,28,29,30,31)
InChIKeyQNMXGRFJXQVFRK-UHFFFAOYSA-N
MW475.56 g/mol
LogP3.03
Rot. Bonds7

About N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 1383394) has the molecular formula C24H29N9O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID1383394
Molecular FormulaC24H29N9O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC NameN-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(Nc3ccc(NC(C)=O)cc3)nc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C24H29N9O2/c1-16(34)25-18-4-8-20(9-5-18)27-22-29-23(28-21-10-6-19(7-11-21)26-17(2)35)31-24(30-22)33-14-12-32(3)13-15-33/h4-11H,12-15H2,1-3H3,(H,25,34)(H,26,35)(H2,27,28,29,30,31)
InChIKeyQNMXGRFJXQVFRK-UHFFFAOYSA-N
XLogP3.03
TPSA127.41 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
[1,3,5]Triazine-2,4-diamine, N,N-diphenyl-6-(piperidin-1-yl)-
CID 712288
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
N,N'-bis(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 1417488
N,N'-[(6-Chloro-1,3,5-triazine-2,4-diyl)bis(azanediyl-4,1-phenylene)]diacetamide
CID 339179
N-[4-[[4-chloro-6-[4-(propanoylamino)anilino]-1,3,5-triazin-2-yl]amino]phenyl]propanamide
CID 1913403
1-[2-[[4-(Dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 2190720
N-(2-{[4-(methylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}ethyl)-N'-phenylurea
CID 2210653
N-(2-{[4-(dimethylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}ethyl)-N'-phenylurea
CID 3156648
4-[4-[[4-Chloro-6-(cyclohexylamino)-1,3,5-triazin-2-yl]amino]phenyl]morpholin-3-one
CID 145950689
4-[4-[(4-Anilino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]morpholin-3-one
CID 145956104

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 1383394) is N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(Nc3ccc(NC(C)=O)cc3)nc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is QNMXGRFJXQVFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O2/c1-16(34)25-18-4-8-20(9-5-18)27-22-29-23(28-21-10-6-19(7-11-21)26-17(2)35)31-24(30-22)33-14-12-32(3)13-15-33/h4-11H,12-15H2,1-3H3,(H,25,34)(H,26,35)(H2,27,28,29,30,31).
What are the key properties of N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 475.56 g/mol, XLogP of 3.03, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-acetamidoanilino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 1383394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).