(3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C14H15N3O3 — CID 115982405

IUPAC(3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCc1cccnc1COC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C14H15N3O3/c1-10-3-2-6-16-12(10)9-20-14(19)8-17-7-11(15)4-5-13(17)18/h2-7H,8-9,15H2,1H3
InChIKeyHSDNVWMSUNKFNU-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.88
Rot. Bonds4

About (3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

(3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 115982405) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID115982405
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCc1cccnc1COC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C14H15N3O3/c1-10-3-2-6-16-12(10)9-20-14(19)8-17-7-11(15)4-5-13(17)18/h2-7H,8-9,15H2,1H3
InChIKeyHSDNVWMSUNKFNU-UHFFFAOYSA-N
XLogP0.88
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62815511
(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 112651180
2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 114531068
(2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814289
2-(5-amino-2-oxo-1-pyridinyl)-N-methyl-N-pyridin-2-ylacetamide
CID 62817029
(3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate
CID 112550182
butan-2-yl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62816019
5-amino-1-(pyrimidin-2-ylmethyl)pyridin-2-one
CID 62699926
(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 112651177
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 82031682
1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62816378
2-(5-amino-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62816853

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of (3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 115982405) is (3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for (3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for (3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is Cc1cccnc1COC(=O)Cn1cc(N)ccc1=O.
What is the InChIKey of (3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is HSDNVWMSUNKFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-3-2-6-16-12(10)9-20-14(19)8-17-7-11(15)4-5-13(17)18/h2-7H,8-9,15H2,1H3.
What are the key properties of (3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
(3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 273.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 115982405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).