2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate

C20H19N2O3- — CID 18542188

IUPAC2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate
SMILESCc1ccnc(C(=O)c2[nH]c3ccc(C(C)C)cc3c2CC(=O)[O-])c1
InChIInChI=1S/C20H20N2O3/c1-11(2)13-4-5-16-14(9-13)15(10-18(23)24)19(22-16)20(25)17-8-12(3)6-7-21-17/h4-9,11,22H,10H2,1-3H3,(H,23,24)/p-1
InChIKeyZZJAAJNNPOFPLR-UHFFFAOYSA-M
MW335.38 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate

2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate (PubChem CID 18542188) has the molecular formula C20H19N2O3- and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate.

Molecular Properties

Compound Name2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate
PubChem CID18542188
Molecular FormulaC20H19N2O3-
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate
SMILESCc1ccnc(C(=O)c2[nH]c3ccc(C(C)C)cc3c2CC(=O)[O-])c1
InChIInChI=1S/C20H20N2O3/c1-11(2)13-4-5-16-14(9-13)15(10-18(23)24)19(22-16)20(25)17-8-12(3)6-7-21-17/h4-9,11,22H,10H2,1-3H3,(H,23,24)/p-1
InChIKeyZZJAAJNNPOFPLR-UHFFFAOYSA-M
XLogP2.52
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate?
The IUPAC name of 2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate (CID 18542188) is 2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate.
What is the SMILES notation for 2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate?
The canonical SMILES for 2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate is Cc1ccnc(C(=O)c2[nH]c3ccc(C(C)C)cc3c2CC(=O)[O-])c1.
What is the InChIKey of 2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate?
The InChIKey is ZZJAAJNNPOFPLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20N2O3/c1-11(2)13-4-5-16-14(9-13)15(10-18(23)24)19(22-16)20(25)17-8-12(3)6-7-21-17/h4-9,11,22H,10H2,1-3H3,(H,23,24)/p-1.
What are the key properties of 2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate?
2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate has a molecular weight of 335.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate is sourced from PubChem (CID 18542188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).