6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C20H16N8O2 — CID 53330055

IUPAC6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)o1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C20H16N8O2/c29-18(26-20-28-27-19(30-20)16-3-1-2-8-23-16)17-15(24-13-9-21-11-22-10-13)7-6-14(25-17)12-4-5-12/h1-3,6-12,24H,4-5H2,(H,26,28,29)
InChIKeyRNFLWOGBDRJMLM-UHFFFAOYSA-N
MW400.40 g/mol
LogP3.19
Rot. Bonds6

About 6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53330055) has the molecular formula C20H16N8O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53330055
Molecular FormulaC20H16N8O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Name6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccn2)o1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C20H16N8O2/c29-18(26-20-28-27-19(30-20)16-3-1-2-8-23-16)17-15(24-13-9-21-11-22-10-13)7-6-14(25-17)12-4-5-12/h1-3,6-12,24H,4-5H2,(H,26,28,29)
InChIKeyRNFLWOGBDRJMLM-UHFFFAOYSA-N
XLogP3.19
TPSA131.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53330055) is 6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1nnc(-c2ccccn2)o1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is RNFLWOGBDRJMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O2/c29-18(26-20-28-27-19(30-20)16-3-1-2-8-23-16)17-15(24-13-9-21-11-22-10-13)7-6-14(25-17)12-4-5-12/h1-3,6-12,24H,4-5H2,(H,26,28,29).
What are the key properties of 6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 400.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53330055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).