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

C22H22N6O2 — CID 90257225

IUPACN-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cncc(C(=O)NC5CC5)c4)c3c2)o1
InChIInChI=1S/C22H22N6O2/c1-12(2)25-22-28-27-21(30-22)13-3-6-19-17(8-13)18(11-24-19)14-7-15(10-23-9-14)20(29)26-16-4-5-16/h3,6-12,16,24H,4-5H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYLEPCOMPXJKHRR-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.99
Rot. Bonds6

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

N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide (PubChem CID 90257225) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide
PubChem CID90257225
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cncc(C(=O)NC5CC5)c4)c3c2)o1
InChIInChI=1S/C22H22N6O2/c1-12(2)25-22-28-27-21(30-22)13-3-6-19-17(8-13)18(11-24-19)14-7-15(10-23-9-14)20(29)26-16-4-5-16/h3,6-12,16,24H,4-5H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYLEPCOMPXJKHRR-UHFFFAOYSA-N
XLogP3.99
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide (CID 90257225) is N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[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(-c4cncc(C(=O)NC5CC5)c4)c3c2)o1.
What is the InChIKey of N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide?
The InChIKey is YLEPCOMPXJKHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-12(2)25-22-28-27-21(30-22)13-3-6-19-17(8-13)18(11-24-19)14-7-15(10-23-9-14)20(29)26-16-4-5-16/h3,6-12,16,24H,4-5H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide?
N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 90257225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).