2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide

C27H34N4O2 — CID 139535672

IUPAC2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide
SMILESCc1ccc(CCNc2cccnc2N[C@@H](Cc2ccc(C)cc2)CN(C)C(=O)CO)cc1
InChIInChI=1S/C27H34N4O2/c1-20-6-10-22(11-7-20)14-16-28-25-5-4-15-29-27(25)30-24(18-31(3)26(33)19-32)17-23-12-8-21(2)9-13-23/h4-13,15,24,28,32H,14,16-19H2,1-3H3,(H,29,30)/t24-/m0/s1
InChIKeyOELMIEUNIMABPD-DEOSSOPVSA-N
MW446.60 g/mol
LogP3.83
Rot. Bonds11

About 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide

2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide (PubChem CID 139535672) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide
PubChem CID139535672
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide
SMILESCc1ccc(CCNc2cccnc2N[C@@H](Cc2ccc(C)cc2)CN(C)C(=O)CO)cc1
InChIInChI=1S/C27H34N4O2/c1-20-6-10-22(11-7-20)14-16-28-25-5-4-15-29-27(25)30-24(18-31(3)26(33)19-32)17-23-12-8-21(2)9-13-23/h4-13,15,24,28,32H,14,16-19H2,1-3H3,(H,29,30)/t24-/m0/s1
InChIKeyOELMIEUNIMABPD-DEOSSOPVSA-N
XLogP3.83
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide
CID 139535670
2-N-[(1S)-1-(methoxymethoxy)-1-(4-methylphenyl)propan-2-yl]-3-N-[2-(4-methylphenyl)ethyl]pyridine-2,3-diamine
CID 139535805
N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 55061165
N-[(2S)-2-(2-aminoanilino)-3-(4-methylphenyl)propyl]-2-hydroxyacetamide
CID 155774528
[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol
CID 82081342
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 65314837
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 62315021
2-[2-[4-(hydroxymethyl)phenyl]ethylamino]pyridine-3-sulfonamide
CID 133434864
2-[2-(4-nitrophenyl)ethylamino]pyridine-3-carboxylic acid
CID 61218906
2-[(4-methylphenyl)methyl]-3-pyrimidin-2-ylpropanoic acid
CID 79418377

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide (CID 139535672) is 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide is Cc1ccc(CCNc2cccnc2N[C@@H](Cc2ccc(C)cc2)CN(C)C(=O)CO)cc1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide?
The InChIKey is OELMIEUNIMABPD-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-20-6-10-22(11-7-20)14-16-28-25-5-4-15-29-27(25)30-24(18-31(3)26(33)19-32)17-23-12-8-21(2)9-13-23/h4-13,15,24,28,32H,14,16-19H2,1-3H3,(H,29,30)/t24-/m0/s1.
What are the key properties of 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide?
2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide has a molecular weight of 446.60 g/mol, XLogP of 3.83, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide is sourced from PubChem (CID 139535672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).