6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide

C19H18N6O2 — CID 90257080

IUPAC6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ccc(C(N)=O)cn4)c3c2)o1
InChIInChI=1S/C19H18N6O2/c1-10(2)23-19-25-24-18(27-19)11-3-5-15-13(7-11)14(9-22-15)16-6-4-12(8-21-16)17(20)26/h3-10,22H,1-2H3,(H2,20,26)(H,23,25)
InChIKeyHIGIFBUHXIIFCP-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.20
Rot. Bonds5

About 6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide

6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide (PubChem CID 90257080) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide
PubChem CID90257080
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ccc(C(N)=O)cn4)c3c2)o1
InChIInChI=1S/C19H18N6O2/c1-10(2)23-19-25-24-18(27-19)11-3-5-15-13(7-11)14(9-22-15)16-6-4-12(8-21-16)17(20)26/h3-10,22H,1-2H3,(H2,20,26)(H,23,25)
InChIKeyHIGIFBUHXIIFCP-UHFFFAOYSA-N
XLogP3.20
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide (CID 90257080) is 6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide is CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ccc(C(N)=O)cn4)c3c2)o1.
What is the InChIKey of 6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide?
The InChIKey is HIGIFBUHXIIFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-10(2)23-19-25-24-18(27-19)11-3-5-15-13(7-11)14(9-22-15)16-6-4-12(8-21-16)17(20)26/h3-10,22H,1-2H3,(H2,20,26)(H,23,25).
What are the key properties of 6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide?
6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 90257080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).