[2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate

C15H15N3O3 — CID 81312802

IUPAC[2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1ccc(N)cn1
InChIInChI=1S/C15H15N3O3/c1-10-4-2-3-5-12(10)18-14(19)9-21-15(20)13-7-6-11(16)8-17-13/h2-8H,9,16H2,1H3,(H,18,19)
InChIKeyCJUAWPAHDQFBOT-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.77
Rot. Bonds4

About [2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate

[2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate (PubChem CID 81312802) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
PubChem CID81312802
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1ccc(N)cn1
InChIInChI=1S/C15H15N3O3/c1-10-4-2-3-5-12(10)18-14(19)9-21-15(20)13-7-6-11(16)8-17-13/h2-8H,9,16H2,1H3,(H,18,19)
InChIKeyCJUAWPAHDQFBOT-UHFFFAOYSA-N
XLogP1.77
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81312790
[2-(2-methylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2624946
[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
[2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81316734
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489270
[2-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8543923
[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2378879
[2-(2-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538290
[2-(2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678252
[2-(2-methylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149309
[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
[2-(2-methylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8965756

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate (CID 81312802) is [2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate is Cc1ccccc1NC(=O)COC(=O)c1ccc(N)cn1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
The InChIKey is CJUAWPAHDQFBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-4-2-3-5-12(10)18-14(19)9-21-15(20)13-7-6-11(16)8-17-13/h2-8H,9,16H2,1H3,(H,18,19).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
[2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81312802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).