N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide

C24H28N8O — CID 5180598

IUPACN-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C24H28N8O/c1-17(19-11-13-21(14-12-19)25-18(2)33)30-31-23-27-22(26-20-9-5-3-6-10-20)28-24(29-23)32-15-7-4-8-16-32/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3,(H,25,33)(H2,26,27,28,29,31)
InChIKeyNPYPLBZFNFHYNX-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.40
Rot. Bonds7

About N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide

N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide (PubChem CID 5180598) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
PubChem CID5180598
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC NameN-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C24H28N8O/c1-17(19-11-13-21(14-12-19)25-18(2)33)30-31-23-27-22(26-20-9-5-3-6-10-20)28-24(29-23)32-15-7-4-8-16-32/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3,(H,25,33)(H2,26,27,28,29,31)
InChIKeyNPYPLBZFNFHYNX-UHFFFAOYSA-N
XLogP4.40
TPSA107.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 4082314
4-[(E)-N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135636683
N-[4-[(E)-N-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6160374
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3092763
2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4079235
1-[3-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 35024747
(2S,3Z)-3-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5441897
[4-[(E)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate
CID 5340992
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
CID 155545896
2-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978815

Frequently Asked Questions

What is the IUPAC name of N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide?
The IUPAC name of N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide (CID 5180598) is N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(C)=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide?
The InChIKey is NPYPLBZFNFHYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-17(19-11-13-21(14-12-19)25-18(2)33)30-31-23-27-22(26-20-9-5-3-6-10-20)28-24(29-23)32-15-7-4-8-16-32/h3,5-6,9-14H,4,7-8,15-16H2,1-2H3,(H,25,33)(H2,26,27,28,29,31).
What are the key properties of N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide?
N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 5180598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).