3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane

C18H22N2O3 — CID 176581887

IUPAC3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
SMILESCC.CCc1cccc(-c2cnc(C(=O)O)c(NC(C)=O)c2)c1
InChIInChI=1S/C16H16N2O3.C2H6/c1-3-11-5-4-6-12(7-11)13-8-14(18-10(2)19)15(16(20)21)17-9-13;1-2/h4-9H,3H2,1-2H3,(H,18,19)(H,20,21);1-2H3
InChIKeyDDWWPBBVQZYONS-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.99
Rot. Bonds4

About 3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane

3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane (PubChem CID 176581887) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
PubChem CID176581887
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
SMILESCC.CCc1cccc(-c2cnc(C(=O)O)c(NC(C)=O)c2)c1
InChIInChI=1S/C16H16N2O3.C2H6/c1-3-11-5-4-6-12(7-11)13-8-14(18-10(2)19)15(16(20)21)17-9-13;1-2/h4-9H,3H2,1-2H3,(H,18,19)(H,20,21);1-2H3
InChIKeyDDWWPBBVQZYONS-UHFFFAOYSA-N
XLogP3.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
CID 176575953
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
5-(3-ethylphenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-2-carboxylic acid
CID 176581566
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
CID 176577668
2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176582208
1-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]ethanone
CID 176581839
1-[3-chloro-5-(3-ethylphenyl)-2-pyridinyl]ethanone
CID 176578359
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 176576687
methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
CID 177118718
ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
CID 176579358
2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176578343
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 176580213

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane?
The IUPAC name of 3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane (CID 176581887) is 3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane?
The canonical SMILES for 3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane is CC.CCc1cccc(-c2cnc(C(=O)O)c(NC(C)=O)c2)c1.
What is the InChIKey of 3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane?
The InChIKey is DDWWPBBVQZYONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3.C2H6/c1-3-11-5-4-6-12(7-11)13-8-14(18-10(2)19)15(16(20)21)17-9-13;1-2/h4-9H,3H2,1-2H3,(H,18,19)(H,20,21);1-2H3.
What are the key properties of 3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane?
3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane has a molecular weight of 314.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 176581887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).