7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide

C24H35N7O4 — CID 142730894

IUPAC7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCNc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)NO
InChIInChI=1S/C24H35N7O4/c32-21(29-33)5-3-1-2-4-10-25-20-8-6-19(7-9-20)22-26-23(30-11-15-34-16-12-30)28-24(27-22)31-13-17-35-18-14-31/h6-9,25,33H,1-5,10-18H2,(H,29,32)
InChIKeyFXKKZKFUGVMVBR-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.08
Rot. Bonds11

About 7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide

7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide (PubChem CID 142730894) has the molecular formula C24H35N7O4 and a molecular weight of 485.59 g/mol. Its IUPAC name is 7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide
PubChem CID142730894
Molecular FormulaC24H35N7O4
Molecular Weight485.59 g/mol
Exact Mass485.28
IUPAC Name7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCNc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)NO
InChIInChI=1S/C24H35N7O4/c32-21(29-33)5-3-1-2-4-10-25-20-8-6-19(7-9-20)22-26-23(30-11-15-34-16-12-30)28-24(27-22)31-13-17-35-18-14-31/h6-9,25,33H,1-5,10-18H2,(H,29,32)
InChIKeyFXKKZKFUGVMVBR-UHFFFAOYSA-N
XLogP2.08
TPSA124.97 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide
CID 142730895
5-[4-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-hydroxypentanamide
CID 171478100
3-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]phenyl]-1,1-dimethylurea
CID 66586009
N-hydroxy-7-[6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]heptanamide
CID 155558136
1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 66585720
7-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]amino]-N-hydroxyheptanamide
CID 86682162
N-[7-(2-aminoanilino)-7-oxoheptyl]-4-[[4-[4-morpholin-4-yl-6-(oxetan-3-yloxy)-1,3,5-triazin-2-yl]phenyl]carbamoylamino]benzamide
CID 177372606
1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 141367165
1-[4-[4-morpholin-4-yl-6-(3-oxopropyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 87059834
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(2-pyridin-2-ylacetyl)phenyl]urea
CID 44516955
1-(4-fluorophenyl)-3-[4-[4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]urea
CID 66585746

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide?
The IUPAC name of 7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide (CID 142730894) is 7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide is O=C(CCCCCCNc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)NO.
What is the InChIKey of 7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide?
The InChIKey is FXKKZKFUGVMVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O4/c32-21(29-33)5-3-1-2-4-10-25-20-8-6-19(7-9-20)22-26-23(30-11-15-34-16-12-30)28-24(27-22)31-13-17-35-18-14-31/h6-9,25,33H,1-5,10-18H2,(H,29,32).
What are the key properties of 7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide?
7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide has a molecular weight of 485.59 g/mol, XLogP of 2.08, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide is sourced from PubChem (CID 142730894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).