methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate

C18H15N7O4 — CID 156768740

IUPACmethyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1
InChIInChI=1S/C18H15N7O4/c1-28-18(27)10-6-7-20-13(8-10)22-14(26)9-25-12-5-3-2-4-11(12)21-17(25)15-16(19)24-29-23-15/h2-8H,9H2,1H3,(H2,19,24)(H,20,22,26)
InChIKeyRDLPDECQPBBQGD-UHFFFAOYSA-N
MW393.36 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate

methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate (PubChem CID 156768740) has the molecular formula C18H15N7O4 and a molecular weight of 393.36 g/mol. Its IUPAC name is methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate
PubChem CID156768740
Molecular FormulaC18H15N7O4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC Namemethyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1
InChIInChI=1S/C18H15N7O4/c1-28-18(27)10-6-7-20-13(8-10)22-14(26)9-25-12-5-3-2-4-11(12)21-17(25)15-16(19)24-29-23-15/h2-8H,9H2,1H3,(H2,19,24)(H,20,22,26)
InChIKeyRDLPDECQPBBQGD-UHFFFAOYSA-N
XLogP1.49
TPSA151.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate (CID 156768740) is methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate is COC(=O)c1ccnc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1.
What is the InChIKey of methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate?
The InChIKey is RDLPDECQPBBQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O4/c1-28-18(27)10-6-7-20-13(8-10)22-14(26)9-25-12-5-3-2-4-11(12)21-17(25)15-16(19)24-29-23-15/h2-8H,9H2,1H3,(H2,19,24)(H,20,22,26).
What are the key properties of methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate?
methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate has a molecular weight of 393.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 156768740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).