4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C23H18N6O2 — CID 135887222

IUPAC4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4ccnc(C(=O)NCc5ccncc5)c4)ccc3[nH]2)n1
InChIInChI=1S/C23H18N6O2/c1-14-27-23(31-29-14)21-12-18-10-16(2-3-19(18)28-21)17-6-9-25-20(11-17)22(30)26-13-15-4-7-24-8-5-15/h2-12,28H,13H2,1H3,(H,26,30)
InChIKeyLMAXNMCABVPYQS-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.91
Rot. Bonds5

About 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 135887222) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID135887222
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1noc(-c2cc3cc(-c4ccnc(C(=O)NCc5ccncc5)c4)ccc3[nH]2)n1
InChIInChI=1S/C23H18N6O2/c1-14-27-23(31-29-14)21-12-18-10-16(2-3-19(18)28-21)17-6-9-25-20(11-17)22(30)26-13-15-4-7-24-8-5-15/h2-12,28H,13H2,1H3,(H,26,30)
InChIKeyLMAXNMCABVPYQS-UHFFFAOYSA-N
XLogP3.91
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 135887222) is 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is Cc1noc(-c2cc3cc(-c4ccnc(C(=O)NCc5ccncc5)c4)ccc3[nH]2)n1.
What is the InChIKey of 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is LMAXNMCABVPYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-14-27-23(31-29-14)21-12-18-10-16(2-3-19(18)28-21)17-6-9-25-20(11-17)22(30)26-13-15-4-7-24-8-5-15/h2-12,28H,13H2,1H3,(H,26,30).
What are the key properties of 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 135887222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).