methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate

C15H18N6O3 — CID 75589541

IUPACmethyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(NC(=O)c2cccc(-n3cnnc3)n2)CN1C
InChIInChI=1S/C15H18N6O3/c1-20-7-10(6-12(20)15(23)24-2)18-14(22)11-4-3-5-13(19-11)21-8-16-17-9-21/h3-5,8-10,12H,6-7H2,1-2H3,(H,18,22)
InChIKeyVRXXSFXRIWUUCK-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.36
Rot. Bonds4

About methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate

methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate (PubChem CID 75589541) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate
PubChem CID75589541
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Namemethyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(NC(=O)c2cccc(-n3cnnc3)n2)CN1C
InChIInChI=1S/C15H18N6O3/c1-20-7-10(6-12(20)15(23)24-2)18-14(22)11-4-3-5-13(19-11)21-8-16-17-9-21/h3-5,8-10,12H,6-7H2,1-2H3,(H,18,22)
InChIKeyVRXXSFXRIWUUCK-UHFFFAOYSA-N
XLogP-0.36
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate (CID 75589541) is methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate is COC(=O)C1CC(NC(=O)c2cccc(-n3cnnc3)n2)CN1C.
What is the InChIKey of methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate?
The InChIKey is VRXXSFXRIWUUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-20-7-10(6-12(20)15(23)24-2)18-14(22)11-4-3-5-13(19-11)21-8-16-17-9-21/h3-5,8-10,12H,6-7H2,1-2H3,(H,18,22).
What are the key properties of methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate?
methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate has a molecular weight of 330.35 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]pyrrolidine-2-carboxylate is sourced from PubChem (CID 75589541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).