N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide

C27H34N6O2 — CID 154640142

IUPACN-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1nnc(-c2ccc3[nH]c(-c4cc(C)nc(C)c4)c(C(C)C)c3c2)o1
InChIInChI=1S/C27H34N6O2/c1-8-33(12-11-32(6)7)27(34)26-31-30-25(35-26)19-9-10-22-21(15-19)23(16(2)3)24(29-22)20-13-17(4)28-18(5)14-20/h9-10,13-16,29H,8,11-12H2,1-7H3
InChIKeyRIUJGPRAODNNMC-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.04
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 154640142) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID154640142
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1nnc(-c2ccc3[nH]c(-c4cc(C)nc(C)c4)c(C(C)C)c3c2)o1
InChIInChI=1S/C27H34N6O2/c1-8-33(12-11-32(6)7)27(34)26-31-30-25(35-26)19-9-10-22-21(15-19)23(16(2)3)24(29-22)20-13-17(4)28-18(5)14-20/h9-10,13-16,29H,8,11-12H2,1-7H3
InChIKeyRIUJGPRAODNNMC-UHFFFAOYSA-N
XLogP5.04
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide (CID 154640142) is N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide is CCN(CCN(C)C)C(=O)c1nnc(-c2ccc3[nH]c(-c4cc(C)nc(C)c4)c(C(C)C)c3c2)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is RIUJGPRAODNNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-8-33(12-11-32(6)7)27(34)26-31-30-25(35-26)19-9-10-22-21(15-19)23(16(2)3)24(29-22)20-13-17(4)28-18(5)14-20/h9-10,13-16,29H,8,11-12H2,1-7H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-N-ethyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 154640142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).