[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate

C18H17Cl2N3O4 — CID 2468903

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate
SMILESCc1nc(NC(=O)COC(=O)[C@@H](C)NC(=O)c2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O4/c1-10-13(19)8-14(20)16(21-10)23-15(24)9-27-18(26)11(2)22-17(25)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,22,25)(H,21,23,24)/t11-/m1/s1
InChIKeyXLMVNVFXRYKTGZ-LLVKDONJSA-N
MW410.26 g/mol
LogP3.00
Rot. Bonds6

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate (PubChem CID 2468903) has the molecular formula C18H17Cl2N3O4 and a molecular weight of 410.26 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate
PubChem CID2468903
Molecular FormulaC18H17Cl2N3O4
Molecular Weight410.26 g/mol
Exact Mass409.06
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate
SMILESCc1nc(NC(=O)COC(=O)[C@@H](C)NC(=O)c2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O4/c1-10-13(19)8-14(20)16(21-10)23-15(24)9-27-18(26)11(2)22-17(25)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,22,25)(H,21,23,24)/t11-/m1/s1
InChIKeyXLMVNVFXRYKTGZ-LLVKDONJSA-N
XLogP3.00
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2468900
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969091
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7789788
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 27212711
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 16565506
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 16522828
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2594012
[2-(4-bromoanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593861
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 8753112
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 16540717
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563517
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386703

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate (CID 2468903) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate is Cc1nc(NC(=O)COC(=O)[C@@H](C)NC(=O)c2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate?
The InChIKey is XLMVNVFXRYKTGZ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4/c1-10-13(19)8-14(20)16(21-10)23-15(24)9-27-18(26)11(2)22-17(25)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,22,25)(H,21,23,24)/t11-/m1/s1.
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate has a molecular weight of 410.26 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamidopropanoate is sourced from PubChem (CID 2468903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).