2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide

C32H37N3O3 — CID 162144385

IUPAC2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide
SMILESCC(=O)Nc1nc(C)c(OCc2ccccc2)c(C)c1C.Cc1cnc(C)c(OCc2ccccc2)c1C
InChIInChI=1S/C17H20N2O2.C15H17NO/c1-11-12(2)17(19-14(4)20)18-13(3)16(11)21-10-15-8-6-5-7-9-15;1-11-9-16-13(3)15(12(11)2)17-10-14-7-5-4-6-8-14/h5-9H,10H2,1-4H3,(H,18,19,20);4-9H,10H2,1-3H3
InChIKeyZKIXPXNCUAOARZ-UHFFFAOYSA-N
MW511.67 g/mol
LogP7.13
Rot. Bonds7

About 2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide

2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide (PubChem CID 162144385) has the molecular formula C32H37N3O3 and a molecular weight of 511.67 g/mol. Its IUPAC name is 2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide
PubChem CID162144385
Molecular FormulaC32H37N3O3
Molecular Weight511.67 g/mol
Exact Mass511.28
IUPAC Name2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide
SMILESCC(=O)Nc1nc(C)c(OCc2ccccc2)c(C)c1C.Cc1cnc(C)c(OCc2ccccc2)c1C
InChIInChI=1S/C17H20N2O2.C15H17NO/c1-11-12(2)17(19-14(4)20)18-13(3)16(11)21-10-15-8-6-5-7-9-15;1-11-9-16-13(3)15(12(11)2)17-10-14-7-5-4-6-8-14/h5-9H,10H2,1-4H3,(H,18,19,20);4-9H,10H2,1-3H3
InChIKeyZKIXPXNCUAOARZ-UHFFFAOYSA-N
XLogP7.13
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)benzamide
CID 86303799
1-(4-bromocyclohexa-2,4-dien-1-yl)-3-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)urea
CID 130244902
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol
CID 15619962
[(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid
CID 10426329
4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid
CID 166140574
methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
CID 141452620
4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butan-2-one
CID 54428047
2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride
CID 59202337
ethane;ethyl 2-chloro-5,6-dimethyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250389
5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
CID 52987753
(E)-2-acetamido-3-(3-ethyl-5-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 68674933

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide?
The IUPAC name of 2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide (CID 162144385) is 2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide?
The canonical SMILES for 2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide is CC(=O)Nc1nc(C)c(OCc2ccccc2)c(C)c1C.Cc1cnc(C)c(OCc2ccccc2)c1C.
What is the InChIKey of 2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide?
The InChIKey is ZKIXPXNCUAOARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.C15H17NO/c1-11-12(2)17(19-14(4)20)18-13(3)16(11)21-10-15-8-6-5-7-9-15;1-11-9-16-13(3)15(12(11)2)17-10-14-7-5-4-6-8-14/h5-9H,10H2,1-4H3,(H,18,19,20);4-9H,10H2,1-3H3.
What are the key properties of 2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide?
2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide has a molecular weight of 511.67 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide is sourced from PubChem (CID 162144385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).