3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol

C24H28N2O4 — CID 137306971

IUPAC3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol
SMILESCc1ccc(O)c(-c2cc(-c3ccc(OC(C)C)cc3)cc(NCC(O)CO)n2)c1
InChIInChI=1S/C24H28N2O4/c1-15(2)30-20-7-5-17(6-8-20)18-11-22(21-10-16(3)4-9-23(21)29)26-24(12-18)25-13-19(28)14-27/h4-12,15,19,27-29H,13-14H2,1-3H3,(H,25,26)
InChIKeyLHIWLZHWYLZDIQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.98
Rot. Bonds8

About 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol

3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol (PubChem CID 137306971) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol
PubChem CID137306971
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol
SMILESCc1ccc(O)c(-c2cc(-c3ccc(OC(C)C)cc3)cc(NCC(O)CO)n2)c1
InChIInChI=1S/C24H28N2O4/c1-15(2)30-20-7-5-17(6-8-20)18-11-22(21-10-16(3)4-9-23(21)29)26-24(12-18)25-13-19(28)14-27/h4-12,15,19,27-29H,13-14H2,1-3H3,(H,25,26)
InChIKeyLHIWLZHWYLZDIQ-UHFFFAOYSA-N
XLogP3.98
TPSA94.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol with MolForge

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Related Compounds

1-[[(6-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890186
4-Methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
CID 890931
6-[4-(2-Dimethylamino-ethoxy)-naphthalen-1-yl]-pyridin-2-ylamine
CID 9796600
6-[4-(2-Dimethylamino-ethoxy)-5,6,7,8-tetrahydro-naphthalen-1-yl]-pyridin-2-ylamine
CID 10358114
6-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11717787
2-[[6-(4-Methoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204428
(1R)-2-[[6-[4-ethoxy-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204535
4-{4-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-phenyl}-3-phenyl-butyric acid
CID 44283544
N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
CID 57405732
(1R)-2-[[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918481
(1R)-2-[[6-(4-ethoxy-3-fluorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918516
2-[[6-(4-Ethoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918567

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol (CID 137306971) is 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol is Cc1ccc(O)c(-c2cc(-c3ccc(OC(C)C)cc3)cc(NCC(O)CO)n2)c1.
What is the InChIKey of 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol?
The InChIKey is LHIWLZHWYLZDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-15(2)30-20-7-5-17(6-8-20)18-11-22(21-10-16(3)4-9-23(21)29)26-24(12-18)25-13-19(28)14-27/h4-12,15,19,27-29H,13-14H2,1-3H3,(H,25,26).
What are the key properties of 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol?
3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol has a molecular weight of 408.50 g/mol, XLogP of 3.98, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2-hydroxy-5-methylphenyl)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]amino]propane-1,2-diol is sourced from PubChem (CID 137306971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).