N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride

C23H34Cl2N8O — CID 67331265

About N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride

N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 67331265) has the molecular formula C23H34Cl2N8O and a molecular weight of 509.49 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride
• PubChem CID: 67331265
• Molecular Formula: C23H34Cl2N8O
• Molecular Weight: 509.49 g/mol
• Exact Mass: 508.22
• IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride
• SMILES: CNc1nc(NC2CCC(C(=O)NCc3ccccc3Cl)CC2)nc(N2CCN(C)CC2)n1.Cl
• InChI: InChI=1S/C23H33ClN8O.ClH/c1-25-21-28-22(30-23(29-21)32-13-11-31(2)12-14-32)27-18-9-7-16(8-10-18)20(33)26-15-17-5-3-4-6-19(17)24;/h3-6,16,18H,7-15H2,1-2H3,(H,26,33)(H2,25,27,28,29,30);1H
• InChIKey: QGKOTFXOVHZDBZ-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 98.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.49
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride?

The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride (CID 67331265) is N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride is CNc1nc(NC2CCC(C(=O)NCc3ccccc3Cl)CC2)nc(N2CCN(C)CC2)n1.Cl.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride?

The InChIKey is QGKOTFXOVHZDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN8O.ClH/c1-25-21-28-22(30-23(29-21)32-13-11-31(2)12-14-32)27-18-9-7-16(8-10-18)20(33)26-15-17-5-3-4-6-19(17)24;/h3-6,16,18H,7-15H2,1-2H3,(H,26,33)(H2,25,27,28,29,30);1H.

What are the key properties of N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride?

N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 509.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67331265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).