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

C19H26N2O3 — CID 176575953

IUPACacetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
SMILESCC.CC=O.CCc1cccc(-c2cnc(C(=O)O)c(NC)c2)c1
InChIInChI=1S/C15H16N2O2.C2H4O.C2H6/c1-3-10-5-4-6-11(7-10)12-8-13(16-2)14(15(18)19)17-9-12;1-2-3;1-2/h4-9,16H,3H2,1-2H3,(H,18,19);2H,1H3;1-2H3
InChIKeyRQVDXFRCOAFDIU-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.28
Rot. Bonds4

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

acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid (PubChem CID 176575953) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameacetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
PubChem CID176575953
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameacetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid
SMILESCC.CC=O.CCc1cccc(-c2cnc(C(=O)O)c(NC)c2)c1
InChIInChI=1S/C15H16N2O2.C2H4O.C2H6/c1-3-10-5-4-6-11(7-10)12-8-13(16-2)14(15(18)19)17-9-12;1-2-3;1-2/h4-9,16H,3H2,1-2H3,(H,18,19);2H,1H3;1-2H3
InChIKeyRQVDXFRCOAFDIU-UHFFFAOYSA-N
XLogP4.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-5-(3-ethylphenyl)pyridine-2-carboxylic acid;ethane
CID 176581887
5-(3-ethylphenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-2-carboxylic acid
CID 176581566
methyl 5-(3-ethylphenyl)-3-(propan-2-ylamino)pyridine-2-carboxylate
CID 177118718
2-(benzylamino)-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176582208
N-[5-(3-ethylphenyl)-2-methyl-3-pyridinyl]acetamide
CID 176577162
ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
CID 176579358
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-morpholin-4-ylacetamide;ethane
CID 176577668
2-[cyclopropyl(methyl)amino]-N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]acetamide
CID 176578343
1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one
CID 176578205
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 176576687

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid?
The IUPAC name of acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid (CID 176575953) is acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid?
The canonical SMILES for acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid is CC.CC=O.CCc1cccc(-c2cnc(C(=O)O)c(NC)c2)c1.
What is the InChIKey of acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid?
The InChIKey is RQVDXFRCOAFDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.C2H4O.C2H6/c1-3-10-5-4-6-11(7-10)12-8-13(16-2)14(15(18)19)17-9-12;1-2-3;1-2/h4-9,16H,3H2,1-2H3,(H,18,19);2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid?
acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;5-(3-ethylphenyl)-3-(methylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 176575953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).