1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C24H29N7O2 — CID 25470934

IUPAC1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESCCc1ccccc1Nc1nc(N)nc(CN2CCC(C(=O)Nc3ccccc3O)CC2)n1
InChIInChI=1S/C24H29N7O2/c1-2-16-7-3-4-8-18(16)27-24-29-21(28-23(25)30-24)15-31-13-11-17(12-14-31)22(33)26-19-9-5-6-10-20(19)32/h3-10,17,32H,2,11-15H2,1H3,(H,26,33)(H3,25,27,28,29,30)
InChIKeyMAQXERVJYUJPNK-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.32
Rot. Bonds7

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

1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 25470934) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID25470934
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESCCc1ccccc1Nc1nc(N)nc(CN2CCC(C(=O)Nc3ccccc3O)CC2)n1
InChIInChI=1S/C24H29N7O2/c1-2-16-7-3-4-8-18(16)27-24-29-21(28-23(25)30-24)15-31-13-11-17(12-14-31)22(33)26-19-9-5-6-10-20(19)32/h3-10,17,32H,2,11-15H2,1H3,(H,26,33)(H3,25,27,28,29,30)
InChIKeyMAQXERVJYUJPNK-UHFFFAOYSA-N
XLogP3.32
TPSA129.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-ethylphenyl)-6-[[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 56526132
1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56525149
2-N-(2-ethylphenyl)-6-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 42885236
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38157005
2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 893547
6-(cyclopentylsulfanylmethyl)-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 8763671
N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 47069247
1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526559
6-[(4-ethylpiperazin-1-yl)methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
CID 16584809
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-hydroxyphenyl)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 126839215
6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 25470934) is 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is CCc1ccccc1Nc1nc(N)nc(CN2CCC(C(=O)Nc3ccccc3O)CC2)n1.
What is the InChIKey of 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is MAQXERVJYUJPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-2-16-7-3-4-8-18(16)27-24-29-21(28-23(25)30-24)15-31-13-11-17(12-14-31)22(33)26-19-9-5-6-10-20(19)32/h3-10,17,32H,2,11-15H2,1H3,(H,26,33)(H3,25,27,28,29,30).
What are the key properties of 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.32, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 25470934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).