5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid

C17H16N6O4 — CID 72712258

IUPAC5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(-c2noc(C)n2)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C17H16N6O4/c1-3-19-17(26)22-14-5-12(15-21-9(2)27-23-15)13(8-20-14)10-4-11(16(24)25)7-18-6-10/h4-8H,3H2,1-2H3,(H,24,25)(H2,19,20,22,26)
InChIKeyLOVJKTBIQLNKCM-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.34
Rot. Bonds5

About 5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid

5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid (PubChem CID 72712258) has the molecular formula C17H16N6O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is 5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid
PubChem CID72712258
Molecular FormulaC17H16N6O4
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid
SMILESCCNC(=O)Nc1cc(-c2noc(C)n2)c(-c2cncc(C(=O)O)c2)cn1
InChIInChI=1S/C17H16N6O4/c1-3-19-17(26)22-14-5-12(15-21-9(2)27-23-15)13(8-20-14)10-4-11(16(24)25)7-18-6-10/h4-8H,3H2,1-2H3,(H,24,25)(H2,19,20,22,26)
InChIKeyLOVJKTBIQLNKCM-UHFFFAOYSA-N
XLogP2.34
TPSA143.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid (CID 72712258) is 5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid is CCNC(=O)Nc1cc(-c2noc(C)n2)c(-c2cncc(C(=O)O)c2)cn1.
What is the InChIKey of 5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid?
The InChIKey is LOVJKTBIQLNKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O4/c1-3-19-17(26)22-14-5-12(15-21-9(2)27-23-15)13(8-20-14)10-4-11(16(24)25)7-18-6-10/h4-8H,3H2,1-2H3,(H,24,25)(H2,19,20,22,26).
What are the key properties of 5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid?
5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid has a molecular weight of 368.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 72712258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).