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

C22H24N6O2 — CID 90256958

IUPACN-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1
InChIInChI=1S/C22H24N6O2/c1-12(2)24-20(29)19-7-5-6-18(26-19)16-11-23-17-9-8-14(10-15(16)17)21-27-28-22(30-21)25-13(3)4/h5-13,23H,1-4H3,(H,24,29)(H,25,28)
InChIKeyWQMBTGCWEQBRJL-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.24
Rot. Bonds6

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

N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide (PubChem CID 90256958) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
PubChem CID90256958
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1
InChIInChI=1S/C22H24N6O2/c1-12(2)24-20(29)19-7-5-6-18(26-19)16-11-23-17-9-8-14(10-15(16)17)21-27-28-22(30-21)25-13(3)4/h5-13,23H,1-4H3,(H,24,29)(H,25,28)
InChIKeyWQMBTGCWEQBRJL-UHFFFAOYSA-N
XLogP4.24
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide (CID 90256958) is N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide is CC(C)NC(=O)c1cccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1.
What is the InChIKey of N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
The InChIKey is WQMBTGCWEQBRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-12(2)24-20(29)19-7-5-6-18(26-19)16-11-23-17-9-8-14(10-15(16)17)21-27-28-22(30-21)25-13(3)4/h5-13,23H,1-4H3,(H,24,29)(H,25,28).
What are the key properties of N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90256958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).