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

C23H27N7O2 — CID 69289849

IUPACN-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCNc1nc(NC2CCC(C(=O)NCc3ccccc3O)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C23H27N7O2/c1-24-22-28-20(17-6-4-12-25-13-17)29-23(30-22)27-18-10-8-15(9-11-18)21(32)26-14-16-5-2-3-7-19(16)31/h2-7,12-13,15,18,31H,8-11,14H2,1H3,(H,26,32)(H2,24,27,28,29,30)
InChIKeyXUBGGYVTTAXVEU-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.97
Rot. Bonds7

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

N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 69289849) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID69289849
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
SMILESCNc1nc(NC2CCC(C(=O)NCc3ccccc3O)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C23H27N7O2/c1-24-22-28-20(17-6-4-12-25-13-17)29-23(30-22)27-18-10-8-15(9-11-18)21(32)26-14-16-5-2-3-7-19(16)31/h2-7,12-13,15,18,31H,8-11,14H2,1H3,(H,26,32)(H2,24,27,28,29,30)
InChIKeyXUBGGYVTTAXVEU-UHFFFAOYSA-N
XLogP2.97
TPSA124.95 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
CID 69288355
3-[4-(methylamino)-6-[[4-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclohexyl]amino]-1,3,5-triazin-2-yl]benzoic acid
CID 25262226
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 59242543
3-[4-[[4-[(2-chloro-4-isocyanophenyl)methylcarbamoyl]cyclohexyl]amino]-6-(methylamino)-1,3,5-triazin-2-yl]benzoic acid
CID 59448245
(1S)-N-[(2,4-dichlorophenyl)methyl]-3-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
CID 143790570
4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 67330135
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060070
N-[(2-chlorophenyl)methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 68959773
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
N-[(2-fluorophenyl)methyl]-1-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 134802499

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide (CID 69289849) is N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide is CNc1nc(NC2CCC(C(=O)NCc3ccccc3O)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is XUBGGYVTTAXVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-24-22-28-20(17-6-4-12-25-13-17)29-23(30-22)27-18-10-8-15(9-11-18)21(32)26-14-16-5-2-3-7-19(16)31/h2-7,12-13,15,18,31H,8-11,14H2,1H3,(H,26,32)(H2,24,27,28,29,30).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?
N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.97, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-4-[[4-(methylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 69289849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).