4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide

C11H15N3O2 — CID 66240401

IUPAC4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide
SMILESCc1cccnc1NC(=O)C1COCC1N
InChIInChI=1S/C11H15N3O2/c1-7-3-2-4-13-10(7)14-11(15)8-5-16-6-9(8)12/h2-4,8-9H,5-6,12H2,1H3,(H,13,14,15)
InChIKeyVGMPYICDHNDLQR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.30
Rot. Bonds2

About 4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide

4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide (PubChem CID 66240401) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide
PubChem CID66240401
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide
SMILESCc1cccnc1NC(=O)C1COCC1N
InChIInChI=1S/C11H15N3O2/c1-7-3-2-4-13-10(7)14-11(15)8-5-16-6-9(8)12/h2-4,8-9H,5-6,12H2,1H3,(H,13,14,15)
InChIKeyVGMPYICDHNDLQR-UHFFFAOYSA-N
XLogP0.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide (CID 66240401) is 4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide is Cc1cccnc1NC(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide?
The InChIKey is VGMPYICDHNDLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-3-2-4-13-10(7)14-11(15)8-5-16-6-9(8)12/h2-4,8-9H,5-6,12H2,1H3,(H,13,14,15).
What are the key properties of 4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide?
4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide is sourced from PubChem (CID 66240401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).