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

C25H30N6O2 — CID 154640076

IUPACN-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C(=O)NCCN(C)C)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C25H30N6O2/c1-14(2)21-19-13-17(24-29-30-25(33-24)23(32)26-9-10-31(5)6)7-8-20(19)28-22(21)18-11-15(3)27-16(4)12-18/h7-8,11-14,28H,9-10H2,1-6H3,(H,26,32)
InChIKeyULGYDIAIPZNABW-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.31
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-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]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 154640076) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 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]-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]-1,3,4-oxadiazole-2-carboxamide
PubChem CID154640076
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C(=O)NCCN(C)C)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C25H30N6O2/c1-14(2)21-19-13-17(24-29-30-25(33-24)23(32)26-9-10-31(5)6)7-8-20(19)28-22(21)18-11-15(3)27-16(4)12-18/h7-8,11-14,28H,9-10H2,1-6H3,(H,26,32)
InChIKeyULGYDIAIPZNABW-UHFFFAOYSA-N
XLogP4.31
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-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]-1,3,4-oxadiazole-2-carboxamide (CID 154640076) is N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-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]-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]-1,3,4-oxadiazole-2-carboxamide is Cc1cc(-c2[nH]c3ccc(-c4nnc(C(=O)NCCN(C)C)o4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ULGYDIAIPZNABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-14(2)21-19-13-17(24-29-30-25(33-24)23(32)26-9-10-31(5)6)7-8-20(19)28-22(21)18-11-15(3)27-16(4)12-18/h7-8,11-14,28H,9-10H2,1-6H3,(H,26,32).
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]-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]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 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]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 154640076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).