[2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate

C14H11Cl2N3O3 — CID 2341222

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate
SMILESNc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2N3O3/c15-8-3-4-10(16)11(6-8)19-12(20)7-22-14(21)9-2-1-5-18-13(9)17/h1-6H,7H2,(H2,17,18)(H,19,20)
InChIKeyYMVSLWCLCVAZAN-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.77
Rot. Bonds4

About [2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate

[2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate (PubChem CID 2341222) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate
PubChem CID2341222
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate
SMILESNc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2N3O3/c15-8-3-4-10(16)11(6-8)19-12(20)7-22-14(21)9-2-1-5-18-13(9)17/h1-6H,7H2,(H2,17,18)(H,19,20)
InChIKeyYMVSLWCLCVAZAN-UHFFFAOYSA-N
XLogP2.77
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(Cycloheptylcarbamoyl)methyl 2-aminopyridine-3-carboxylate
CID 8147464
[(4-Cyanophenyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2428126
[2-(Tert-butylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2432404
[2-(Carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2531853
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 2544883
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2544910
2-[(Cyclohexylcarbamoyl)amino]-2-oxoethyl 2-chloropyridine-3-carboxylate
CID 2634355
[1-(Tert-butylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 3227640
Ethyl 5-chloro-6-(4-{[(3-chlorophenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 23642329
Ethyl 5-chloro-6-(4-{[(4-chlorophenyl)amino]carbonyl}piperazin-1-yl)nicotinate
CID 24751851
Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-chloronicotinate
CID 54586076
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 2520095

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate (CID 2341222) is [2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate is Nc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate?
The InChIKey is YMVSLWCLCVAZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c15-8-3-4-10(16)11(6-8)19-12(20)7-22-14(21)9-2-1-5-18-13(9)17/h1-6H,7H2,(H2,17,18)(H,19,20).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate?
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate has a molecular weight of 340.17 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] 2-aminopyridine-3-carboxylate is sourced from PubChem (CID 2341222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).