N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide

C24H26Cl2N6O — CID 25260812

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCNc1nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H26Cl2N6O/c1-27-23-30-21(15-5-3-2-4-6-15)31-24(32-23)29-19-11-8-16(9-12-19)22(33)28-14-17-7-10-18(25)13-20(17)26/h2-7,10,13,16,19H,8-9,11-12,14H2,1H3,(H,28,33)(H2,27,29,30,31,32)
InChIKeyDASOGHJRBQQWFB-UHFFFAOYSA-N
MW485.42 g/mol
LogP5.17
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 25260812) has the molecular formula C24H26Cl2N6O and a molecular weight of 485.42 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID25260812
Molecular FormulaC24H26Cl2N6O
Molecular Weight485.42 g/mol
Exact Mass484.15
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCNc1nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H26Cl2N6O/c1-27-23-30-21(15-5-3-2-4-6-15)31-24(32-23)29-19-11-8-16(9-12-19)22(33)28-14-17-7-10-18(25)13-20(17)26/h2-7,10,13,16,19H,8-9,11-12,14H2,1H3,(H,28,33)(H2,27,29,30,31,32)
InChIKeyDASOGHJRBQQWFB-UHFFFAOYSA-N
XLogP5.17
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide (CID 25260812) is N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide is CNc1nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is DASOGHJRBQQWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N6O/c1-27-23-30-21(15-5-3-2-4-6-15)31-24(32-23)29-19-11-8-16(9-12-19)22(33)28-14-17-7-10-18(25)13-20(17)26/h2-7,10,13,16,19H,8-9,11-12,14H2,1H3,(H,28,33)(H2,27,29,30,31,32).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 485.42 g/mol, XLogP of 5.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 25260812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).