1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide

C15H22N4O3 — CID 56796186

IUPAC1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C15H22N4O3/c1-10(2)22-14-11(4-3-6-17-14)8-18-15(21)19-7-5-12(9-19)13(16)20/h3-4,6,10,12H,5,7-9H2,1-2H3,(H2,16,20)(H,18,21)
InChIKeyROPMNQJDYWYXFZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.89
Rot. Bonds5

About 1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide

1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 56796186) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide
PubChem CID56796186
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C15H22N4O3/c1-10(2)22-14-11(4-3-6-17-14)8-18-15(21)19-7-5-12(9-19)13(16)20/h3-4,6,10,12H,5,7-9H2,1-2H3,(H2,16,20)(H,18,21)
InChIKeyROPMNQJDYWYXFZ-UHFFFAOYSA-N
XLogP0.89
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide (CID 56796186) is 1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide is CC(C)Oc1ncccc1CNC(=O)N1CCC(C(N)=O)C1.
What is the InChIKey of 1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is ROPMNQJDYWYXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)22-14-11(4-3-6-17-14)8-18-15(21)19-7-5-12(9-19)13(16)20/h3-4,6,10,12H,5,7-9H2,1-2H3,(H2,16,20)(H,18,21).
What are the key properties of 1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide?
1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 56796186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).