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

C22H22N6O2 — CID 90256964

IUPACN-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cccc(C(=O)NC5CC5)n4)c3c2)o1
InChIInChI=1S/C22H22N6O2/c1-12(2)24-22-28-27-21(30-22)13-6-9-17-15(10-13)16(11-23-17)18-4-3-5-19(26-18)20(29)25-14-7-8-14/h3-6,9-12,14,23H,7-8H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyRGABTOKPUSHWTF-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.99
Rot. Bonds6

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

N-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide (PubChem CID 90256964) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
PubChem CID90256964
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide
SMILESCC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cccc(C(=O)NC5CC5)n4)c3c2)o1
InChIInChI=1S/C22H22N6O2/c1-12(2)24-22-28-27-21(30-22)13-6-9-17-15(10-13)16(11-23-17)18-4-3-5-19(26-18)20(29)25-14-7-8-14/h3-6,9-12,14,23H,7-8H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyRGABTOKPUSHWTF-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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Related Compounds

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
5-[3-(4-butan-2-yloxypyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 123373159
6-(8-aminonaphthalen-2-yl)-N-cyclohexylpyridine-2-carboxamide
CID 162527396
6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide
CID 117087014
6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
CID 82382362
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-(2-chlorophenyl)-N-cyclohexylpyridine-2-carboxamide
CID 58210870
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392032
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746
6-N-butan-2-yl-2-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093809
N-methyl-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide
CID 137001062

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide (CID 90256964) is N-cyclopropyl-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-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide is CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cccc(C(=O)NC5CC5)n4)c3c2)o1.
What is the InChIKey of N-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
The InChIKey is RGABTOKPUSHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-12(2)24-22-28-27-21(30-22)13-6-9-17-15(10-13)16(11-23-17)18-4-3-5-19(26-18)20(29)25-14-7-8-14/h3-6,9-12,14,23H,7-8H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide?
N-cyclopropyl-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-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-6-[5-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90256964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).