N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide

C17H17N5O3 — CID 71794521

IUPACN-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide
SMILESCc1noc(-c2cccnc2N2CCC(NC(=O)c3ccoc3)C2)n1
InChIInChI=1S/C17H17N5O3/c1-11-19-17(25-21-11)14-3-2-6-18-15(14)22-7-4-13(9-22)20-16(23)12-5-8-24-10-12/h2-3,5-6,8,10,13H,4,7,9H2,1H3,(H,20,23)
InChIKeyBFJZOJZNRGUHMJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.04
Rot. Bonds4

About N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide

N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide (PubChem CID 71794521) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide
PubChem CID71794521
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide
SMILESCc1noc(-c2cccnc2N2CCC(NC(=O)c3ccoc3)C2)n1
InChIInChI=1S/C17H17N5O3/c1-11-19-17(25-21-11)14-3-2-6-18-15(14)22-7-4-13(9-22)20-16(23)12-5-8-24-10-12/h2-3,5-6,8,10,13H,4,7,9H2,1H3,(H,20,23)
InChIKeyBFJZOJZNRGUHMJ-UHFFFAOYSA-N
XLogP2.04
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide (CID 71794521) is N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide is Cc1noc(-c2cccnc2N2CCC(NC(=O)c3ccoc3)C2)n1.
What is the InChIKey of N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide?
The InChIKey is BFJZOJZNRGUHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-19-17(25-21-11)14-3-2-6-18-15(14)22-7-4-13(9-22)20-16(23)12-5-8-24-10-12/h2-3,5-6,8,10,13H,4,7,9H2,1H3,(H,20,23).
What are the key properties of N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide?
N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 71794521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).