3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide

C12H17N3O2 — CID 64891810

IUPAC3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCc1ccc(CNC(=O)C2(N)CCOC2)cn1
InChIInChI=1S/C12H17N3O2/c1-9-2-3-10(6-14-9)7-15-11(16)12(13)4-5-17-8-12/h2-3,6H,4-5,7-8,13H2,1H3,(H,15,16)
InChIKeyVRVBWRJXNLUVJV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.12
Rot. Bonds3

About 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide

3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide (PubChem CID 64891810) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
PubChem CID64891810
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCc1ccc(CNC(=O)C2(N)CCOC2)cn1
InChIInChI=1S/C12H17N3O2/c1-9-2-3-10(6-14-9)7-15-11(16)12(13)4-5-17-8-12/h2-3,6H,4-5,7-8,13H2,1H3,(H,15,16)
InChIKeyVRVBWRJXNLUVJV-UHFFFAOYSA-N
XLogP0.12
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide (CID 64891810) is 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide is Cc1ccc(CNC(=O)C2(N)CCOC2)cn1.
What is the InChIKey of 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide?
The InChIKey is VRVBWRJXNLUVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-2-3-10(6-14-9)7-15-11(16)12(13)4-5-17-8-12/h2-3,6H,4-5,7-8,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide?
3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).