2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine

C121H150N20O16 — CID 159602854

IUPAC2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine
SMILESCC(C)(C)CC(=O)OC(=O)OC(C)(C)C.Cc1ccc(/C=C/c2ccnc(NC(N)=O)c2)cc1.Cc1ccc(C(O)Cc2ccnc(N)c2)cc1.Cc1ccc(C(O)Cc2ccnc(NC(=O)OC(C)(C)C)c2)cc1.Cc1ccc(C(O)Cc2ccnc(NC(N)=O)c2)cc1.Cc1ccc(C(O)Cc2ccnc(NC(N)=O)c2)cc1.Cc1ccc(CCc2ccnc(NC(N)=O)c2)cc1.Cc1ccnc(N)c1.Cc1ccnc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H24N2O3.2C15H17N3O2.C15H17N3O.C15H15N3O.C14H16N2O.C11H16N2O2.C11H20O4.C6H8N2/c1-13-5-7-15(8-6-13)16(22)11-14-9-10-20-17(12-14)21-18(23)24-19(2,3)4;2*1-10-2-4-12(5-3-10)13(19)8-11-6-7-17-14(9-11)18-15(16)20;2*1-11-2-4-12(5-3-11)6-7-13-8-9-17-14(10-13)18-15(16)19;1-10-2-4-12(5-3-10)13(17)8-11-6-7-16-14(15)9-11;1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4;1-10(2,3)7-8(12)14-9(13)15-11(4,5)6;1-5-2-3-8-6(7)4-5/h5-10,12,16,22H,11H2,1-4H3,(H,20,21,23);2*2-7,9,13,19H,8H2,1H3,(H3,16,17,18,20);2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19);2-10H,1H3,(H3,16,17,18,19);2-7,9,13,17H,8H2,1H3,(H2,15,16);5-7H,1-4H3,(H,12,13,14);7H2,1-6H3;2-4H,1H3,(H2,7,8)/b;;;;7-6+;;;;
InChIKeyMLRYPALKWYBVHV-OZSIVRGYSA-N
MW2140.65 g/mol
LogP22.90
Rot. Bonds24

About 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine

2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine (PubChem CID 159602854) has the molecular formula C121H150N20O16 and a molecular weight of 2140.65 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine
PubChem CID159602854
Molecular FormulaC121H150N20O16
Molecular Weight2140.65 g/mol
Exact Mass2139.15
IUPAC Name2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine
SMILESCC(C)(C)CC(=O)OC(=O)OC(C)(C)C.Cc1ccc(/C=C/c2ccnc(NC(N)=O)c2)cc1.Cc1ccc(C(O)Cc2ccnc(N)c2)cc1.Cc1ccc(C(O)Cc2ccnc(NC(=O)OC(C)(C)C)c2)cc1.Cc1ccc(C(O)Cc2ccnc(NC(N)=O)c2)cc1.Cc1ccc(C(O)Cc2ccnc(NC(N)=O)c2)cc1.Cc1ccc(CCc2ccnc(NC(N)=O)c2)cc1.Cc1ccnc(N)c1.Cc1ccnc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C19H24N2O3.2C15H17N3O2.C15H17N3O.C15H15N3O.C14H16N2O.C11H16N2O2.C11H20O4.C6H8N2/c1-13-5-7-15(8-6-13)16(22)11-14-9-10-20-17(12-14)21-18(23)24-19(2,3)4;2*1-10-2-4-12(5-3-10)13(19)8-11-6-7-17-14(9-11)18-15(16)20;2*1-11-2-4-12(5-3-11)6-7-13-8-9-17-14(10-13)18-15(16)19;1-10-2-4-12(5-3-10)13(17)8-11-6-7-16-14(15)9-11;1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4;1-10(2,3)7-8(12)14-9(13)15-11(4,5)6;1-5-2-3-8-6(7)4-5/h5-10,12,16,22H,11H2,1-4H3,(H,20,21,23);2*2-7,9,13,19H,8H2,1H3,(H3,16,17,18,20);2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19);2-10H,1H3,(H3,16,17,18,19);2-7,9,13,17H,8H2,1H3,(H2,15,16);5-7H,1-4H3,(H,12,13,14);7H2,1-6H3;2-4H,1H3,(H2,7,8)/b;;;;7-6+;;;;
InChIKeyMLRYPALKWYBVHV-OZSIVRGYSA-N
XLogP22.90
TPSA585.82 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002140.65
LogP ≤ 522.90
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine (CID 159602854) is 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine is CC(C)(C)CC(=O)OC(=O)OC(C)(C)C.Cc1ccc(/C=C/c2ccnc(NC(N)=O)c2)cc1.Cc1ccc(C(O)Cc2ccnc(N)c2)cc1.Cc1ccc(C(O)Cc2ccnc(NC(=O)OC(C)(C)C)c2)cc1.Cc1ccc(C(O)Cc2ccnc(NC(N)=O)c2)cc1.Cc1ccc(C(O)Cc2ccnc(NC(N)=O)c2)cc1.Cc1ccc(CCc2ccnc(NC(N)=O)c2)cc1.Cc1ccnc(N)c1.Cc1ccnc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine?
The InChIKey is MLRYPALKWYBVHV-OZSIVRGYSA-N. The full InChI is InChI=1S/C19H24N2O3.2C15H17N3O2.C15H17N3O.C15H15N3O.C14H16N2O.C11H16N2O2.C11H20O4.C6H8N2/c1-13-5-7-15(8-6-13)16(22)11-14-9-10-20-17(12-14)21-18(23)24-19(2,3)4;2*1-10-2-4-12(5-3-10)13(19)8-11-6-7-17-14(9-11)18-15(16)20;2*1-11-2-4-12(5-3-11)6-7-13-8-9-17-14(10-13)18-15(16)19;1-10-2-4-12(5-3-10)13(17)8-11-6-7-16-14(15)9-11;1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4;1-10(2,3)7-8(12)14-9(13)15-11(4,5)6;1-5-2-3-8-6(7)4-5/h5-10,12,16,22H,11H2,1-4H3,(H,20,21,23);2*2-7,9,13,19H,8H2,1H3,(H3,16,17,18,20);2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19);2-10H,1H3,(H3,16,17,18,19);2-7,9,13,17H,8H2,1H3,(H2,15,16);5-7H,1-4H3,(H,12,13,14);7H2,1-6H3;2-4H,1H3,(H2,7,8)/b;;;;7-6+;;;;.
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine?
2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine has a molecular weight of 2140.65 g/mol, XLogP of 22.90, 24 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(4-methylphenyl)ethanol;tert-butyl N-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]carbamate;tert-butyl N-(4-methyl-2-pyridinyl)carbamate;bis([4-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-pyridinyl]urea);[4-[(E)-2-(4-methylphenyl)ethenyl]-2-pyridinyl]urea;[4-[2-(4-methylphenyl)ethyl]-2-pyridinyl]urea;(2-methylpropan-2-yl)oxycarbonyl 3,3-dimethylbutanoate;4-methylpyridin-2-amine is sourced from PubChem (CID 159602854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).