N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide

C21H13N5O3 — CID 53321047

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H13N5O3/c27-19(24-21-26-25-20(29-21)18-8-4-10-28-18)15-11-17(13-5-3-9-22-12-13)23-16-7-2-1-6-14(15)16/h1-12H,(H,24,26,27)
InChIKeyMNCZXHYWAKPTOM-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.19
Rot. Bonds4

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 53321047) has the molecular formula C21H13N5O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID53321047
Molecular FormulaC21H13N5O3
Molecular Weight383.37 g/mol
Exact Mass383.10
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H13N5O3/c27-19(24-21-26-25-20(29-21)18-8-4-10-28-18)15-11-17(13-5-3-9-22-12-13)23-16-7-2-1-6-14(15)16/h1-12H,(H,24,26,27)
InChIKeyMNCZXHYWAKPTOM-UHFFFAOYSA-N
XLogP4.19
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 53321047) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is MNCZXHYWAKPTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O3/c27-19(24-21-26-25-20(29-21)18-8-4-10-28-18)15-11-17(13-5-3-9-22-12-13)23-16-7-2-1-6-14(15)16/h1-12H,(H,24,26,27).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 53321047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).