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

C23H20N6O4 — CID 67289548

IUPACmethyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCCNC(=O)Nc1cc(-c2nnc(-c3ccccc3)o2)c(-c2ccnc(C(=O)OC)c2)cn1
InChIInChI=1S/C23H20N6O4/c1-3-24-23(31)27-19-12-16(21-29-28-20(33-21)14-7-5-4-6-8-14)17(13-26-19)15-9-10-25-18(11-15)22(30)32-2/h4-13H,3H2,1-2H3,(H2,24,26,27,31)
InChIKeyCFDMSXUTTRRYIW-UHFFFAOYSA-N
MW444.45 g/mol
LogP3.79
Rot. Bonds6

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

methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 67289548) has the molecular formula C23H20N6O4 and a molecular weight of 444.45 g/mol. Its IUPAC name is methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate
PubChem CID67289548
Molecular FormulaC23H20N6O4
Molecular Weight444.45 g/mol
Exact Mass444.15
IUPAC Namemethyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCCNC(=O)Nc1cc(-c2nnc(-c3ccccc3)o2)c(-c2ccnc(C(=O)OC)c2)cn1
InChIInChI=1S/C23H20N6O4/c1-3-24-23(31)27-19-12-16(21-29-28-20(33-21)14-7-5-4-6-8-14)17(13-26-19)15-9-10-25-18(11-15)22(30)32-2/h4-13H,3H2,1-2H3,(H2,24,26,27,31)
InChIKeyCFDMSXUTTRRYIW-UHFFFAOYSA-N
XLogP3.79
TPSA132.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate (CID 67289548) is methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate is CCNC(=O)Nc1cc(-c2nnc(-c3ccccc3)o2)c(-c2ccnc(C(=O)OC)c2)cn1.
What is the InChIKey of methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate?
The InChIKey is CFDMSXUTTRRYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4/c1-3-24-23(31)27-19-12-16(21-29-28-20(33-21)14-7-5-4-6-8-14)17(13-26-19)15-9-10-25-18(11-15)22(30)32-2/h4-13H,3H2,1-2H3,(H2,24,26,27,31).
What are the key properties of methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate?
methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 444.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(ethylcarbamoylamino)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 67289548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).