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

C14H12ClN3O3 — CID 81312790

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)nc1
InChIInChI=1S/C14H12ClN3O3/c15-10-3-1-2-4-11(10)18-13(19)8-21-14(20)12-6-5-9(16)7-17-12/h1-7H,8,16H2,(H,18,19)
InChIKeyRYKRAMGEJOOFQS-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.11
Rot. Bonds4

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

[2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate (PubChem CID 81312790) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
PubChem CID81312790
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)nc1
InChIInChI=1S/C14H12ClN3O3/c15-10-3-1-2-4-11(10)18-13(19)8-21-14(20)12-6-5-9(16)7-17-12/h1-7H,8,16H2,(H,18,19)
InChIKeyRYKRAMGEJOOFQS-UHFFFAOYSA-N
XLogP2.11
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81312802
2-(5-amino-2-pyridinyl)-N-(2-chlorophenyl)acetamide
CID 107337448
[2-(2-chloroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515590
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
2-(2-amino-6-chlorophenoxy)-N-(2-chlorophenyl)acetamide
CID 107715816
[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628238
[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619875
[2-(butan-2-ylamino)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81316734
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781202
[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653462
[2-(2-methoxyanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2391136
[2-(2-chloroanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753167

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate (CID 81312790) is [2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate is Nc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)nc1.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
The InChIKey is RYKRAMGEJOOFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-10-3-1-2-4-11(10)18-13(19)8-21-14(20)12-6-5-9(16)7-17-12/h1-7H,8,16H2,(H,18,19).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate?
[2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate has a molecular weight of 305.72 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81312790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).