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

C11H15N3O2 — CID 79241184

IUPAC4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
SMILESCc1cc(NC(=O)C2COCC2N)ccn1
InChIInChI=1S/C11H15N3O2/c1-7-4-8(2-3-13-7)14-11(15)9-5-16-6-10(9)12/h2-4,9-10H,5-6,12H2,1H3,(H,13,14,15)
InChIKeyUFULTDDQBMHMGQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.30
Rot. Bonds2

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

4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide (PubChem CID 79241184) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
PubChem CID79241184
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
SMILESCc1cc(NC(=O)C2COCC2N)ccn1
InChIInChI=1S/C11H15N3O2/c1-7-4-8(2-3-13-7)14-11(15)9-5-16-6-10(9)12/h2-4,9-10H,5-6,12H2,1H3,(H,13,14,15)
InChIKeyUFULTDDQBMHMGQ-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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Related Compounds

2-amino-N-(2-methyl-4-pyridinyl)cyclopentane-1-carboxamide
CID 79240939
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
CID 107574306
4-amino-N-(2,5-dimethylpyrazol-3-yl)oxolane-3-carboxamide
CID 66241190
4-amino-N-(3-methyl-2-pyridinyl)oxolane-3-carboxamide
CID 66240401
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 66240019
4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide (CID 79241184) is 4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide is Cc1cc(NC(=O)C2COCC2N)ccn1.
What is the InChIKey of 4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide?
The InChIKey is UFULTDDQBMHMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-4-8(2-3-13-7)14-11(15)9-5-16-6-10(9)12/h2-4,9-10H,5-6,12H2,1H3,(H,13,14,15).
What are the key properties of 4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide?
4-amino-N-(2-methyl-4-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-(2-methyl-4-pyridinyl)oxolane-3-carboxamide is sourced from PubChem (CID 79241184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).