phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate

C24H22N8O4 — CID 10323127

IUPACphenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate
SMILESCOc1ccc(-c2nc(NNC(=O)Oc3ccccc3)nc(NNC(=O)c3ccncc3)n2)c(C)c1
InChIInChI=1S/C24H22N8O4/c1-15-14-18(35-2)8-9-19(15)20-26-22(30-29-21(33)16-10-12-25-13-11-16)28-23(27-20)31-32-24(34)36-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,29,33)(H,32,34)(H2,26,27,28,30,31)
InChIKeyHCRILKMMDHEBBU-UHFFFAOYSA-N
MW486.49 g/mol
LogP3.12
Rot. Bonds8

About phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate

phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate (PubChem CID 10323127) has the molecular formula C24H22N8O4 and a molecular weight of 486.49 g/mol. Its IUPAC name is phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate.

Molecular Properties

Compound Namephenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate
PubChem CID10323127
Molecular FormulaC24H22N8O4
Molecular Weight486.49 g/mol
Exact Mass486.18
IUPAC Namephenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate
SMILESCOc1ccc(-c2nc(NNC(=O)Oc3ccccc3)nc(NNC(=O)c3ccncc3)n2)c(C)c1
InChIInChI=1S/C24H22N8O4/c1-15-14-18(35-2)8-9-19(15)20-26-22(30-29-21(33)16-10-12-25-13-11-16)28-23(27-20)31-32-24(34)36-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,29,33)(H,32,34)(H2,26,27,28,30,31)
InChIKeyHCRILKMMDHEBBU-UHFFFAOYSA-N
XLogP3.12
TPSA152.28 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate?
The IUPAC name of phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate (CID 10323127) is phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate.
What is the SMILES notation for phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate?
The canonical SMILES for phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate is COc1ccc(-c2nc(NNC(=O)Oc3ccccc3)nc(NNC(=O)c3ccncc3)n2)c(C)c1.
What is the InChIKey of phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate?
The InChIKey is HCRILKMMDHEBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O4/c1-15-14-18(35-2)8-9-19(15)20-26-22(30-29-21(33)16-10-12-25-13-11-16)28-23(27-20)31-32-24(34)36-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,29,33)(H,32,34)(H2,26,27,28,30,31).
What are the key properties of phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate?
phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate has a molecular weight of 486.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[4-(4-methoxy-2-methylphenyl)-6-[2-(pyridine-4-carbonyl)hydrazinyl]-1,3,5-triazin-2-yl]amino]carbamate is sourced from PubChem (CID 10323127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).