5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde

C21H23N3O3 — CID 136645539

IUPAC5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCN(C)Cc1cc2cc(-c3[nH]c(=O)c(C=O)c(O)c3C3CC3)ccc2n1C
InChIInChI=1S/C21H23N3O3/c1-23(2)10-15-9-14-8-13(6-7-17(14)24(15)3)19-18(12-4-5-12)20(26)16(11-25)21(27)22-19/h6-9,11-12H,4-5,10H2,1-3H3,(H2,22,26,27)
InChIKeyGBUXCVHLOIAKSK-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.99
Rot. Bonds5

About 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde

5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 136645539) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID136645539
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
SMILESCN(C)Cc1cc2cc(-c3[nH]c(=O)c(C=O)c(O)c3C3CC3)ccc2n1C
InChIInChI=1S/C21H23N3O3/c1-23(2)10-15-9-14-8-13(6-7-17(14)24(15)3)19-18(12-4-5-12)20(26)16(11-25)21(27)22-19/h6-9,11-12H,4-5,10H2,1-3H3,(H2,22,26,27)
InChIKeyGBUXCVHLOIAKSK-UHFFFAOYSA-N
XLogP2.99
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde (CID 136645539) is 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde is CN(C)Cc1cc2cc(-c3[nH]c(=O)c(C=O)c(O)c3C3CC3)ccc2n1C.
What is the InChIKey of 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is GBUXCVHLOIAKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-23(2)10-15-9-14-8-13(6-7-17(14)24(15)3)19-18(12-4-5-12)20(26)16(11-25)21(27)22-19/h6-9,11-12H,4-5,10H2,1-3H3,(H2,22,26,27).
What are the key properties of 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?
5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 365.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 136645539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).