2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid

C19H19N3O4 — CID 131988926

IUPAC2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)cc(C(C)c2cccc3c2CCN3C=O)n1
InChIInChI=1S/C19H19N3O4/c1-11(13-4-3-5-17-14(13)6-7-22(17)10-23)15-8-12(19(25)26)9-16(21-15)18(24)20-2/h3-5,8-11H,6-7H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyAZANETSKTSETHE-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.81
Rot. Bonds5

About 2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid

2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 131988926) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID131988926
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)cc(C(C)c2cccc3c2CCN3C=O)n1
InChIInChI=1S/C19H19N3O4/c1-11(13-4-3-5-17-14(13)6-7-22(17)10-23)15-8-12(19(25)26)9-16(21-15)18(24)20-2/h3-5,8-11H,6-7H2,1-2H3,(H,20,24)(H,25,26)
InChIKeyAZANETSKTSETHE-UHFFFAOYSA-N
XLogP1.81
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.81
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

2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 175774650
4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide
CID 131997086
6-[(1S)-1-[1-(2-hydroxyethyl)indol-4-yl]ethyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 139295951
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997330
2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 131988896
N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide
CID 157281845
N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 159053138
2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine
CID 142417875
N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-6-[(1S)-1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethyl]pyridine-2-carboxamide
CID 158977101
N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 149474637
4-N-cyclopropyl-6-[(S)-hydroxy-(2-methylphenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 139295953
tert-butyl 4,4-difluoro-3-[2-[[2-(methylcarbamoyl)-6-[(1S)-1-phenylethyl]pyridine-4-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 138557146

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid (CID 131988926) is 2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid is CNC(=O)c1cc(C(=O)O)cc(C(C)c2cccc3c2CCN3C=O)n1.
What is the InChIKey of 2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is AZANETSKTSETHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11(13-4-3-5-17-14(13)6-7-22(17)10-23)15-8-12(19(25)26)9-16(21-15)18(24)20-2/h3-5,8-11H,6-7H2,1-2H3,(H,20,24)(H,25,26).
What are the key properties of 2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-formyl-2,3-dihydroindol-4-yl)ethyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 131988926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).