ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen

C18H25NO2 — CID 176579358

IUPACethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
SMILESCC.CCc1cccc(-c2cnc(C(=O)OC)c(C)c2)c1.[H][H]
InChIInChI=1S/C16H17NO2.C2H6.H2/c1-4-12-6-5-7-13(9-12)14-8-11(2)15(17-10-14)16(18)19-3;1-2;/h5-10H,4H2,1-3H3;1-2H3;1H
InChIKeyYHAIZROQGFNLKL-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.68
Rot. Bonds3

About ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen

ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen (PubChem CID 176579358) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen.

Molecular Properties

Compound Nameethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
PubChem CID176579358
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
SMILESCC.CCc1cccc(-c2cnc(C(=O)OC)c(C)c2)c1.[H][H]
InChIInChI=1S/C16H17NO2.C2H6.H2/c1-4-12-6-5-7-13(9-12)14-8-11(2)15(17-10-14)16(18)19-3;1-2;/h5-10H,4H2,1-3H3;1-2H3;1H
InChIKeyYHAIZROQGFNLKL-UHFFFAOYSA-N
XLogP4.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
CID 177118718
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone
CID 176581839
1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone
CID 176578359
methyl 5-bromo-3-methylpyridine-2-carboxylate;methyl 3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 158691953
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
CID 176575953
methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate
CID 170838684
N-[5-(3-ethylphenyl)-2-propanoyl-3-pyridinyl]-2-[(5-methyl-1,2-dihydropyridazin-3-yl)methylamino]acetamide;molecular hydrogen
CID 176579481
methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
CID 155001310
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
5-(3-ethylphenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-2-carboxylic acid
CID 176581566

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen?
The IUPAC name of ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen (CID 176579358) is ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen.
What is the SMILES notation for ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen?
The canonical SMILES for ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen is CC.CCc1cccc(-c2cnc(C(=O)OC)c(C)c2)c1.[H][H].
What is the InChIKey of ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen?
The InChIKey is YHAIZROQGFNLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C2H6.H2/c1-4-12-6-5-7-13(9-12)14-8-11(2)15(17-10-14)16(18)19-3;1-2;/h5-10H,4H2,1-3H3;1-2H3;1H.
What are the key properties of ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen?
ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen has a molecular weight of 287.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen is sourced from PubChem (CID 176579358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).