[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate

C14H16Cl2N2O3 — CID 2093970

IUPAC[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)C2CCCC2)c1Cl
InChIInChI=1S/C14H16Cl2N2O3/c1-8-10(15)6-17-13(12(8)16)18-11(19)7-21-14(20)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,17,18,19)
InChIKeyPTQJDVNTTORFGM-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.37
Rot. Bonds4

About [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 2093970) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
PubChem CID2093970
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)C2CCCC2)c1Cl
InChIInChI=1S/C14H16Cl2N2O3/c1-8-10(15)6-17-13(12(8)16)18-11(19)7-21-14(20)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,17,18,19)
InChIKeyPTQJDVNTTORFGM-UHFFFAOYSA-N
XLogP3.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 41036130
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4853895
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 2414517
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 33352206
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818871
[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495206
[2-(2,6-dichloroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 8019688
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356187
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854481
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 33496459
[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020275
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2112493

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate (CID 2093970) is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate is Cc1c(Cl)cnc(NC(=O)COC(=O)C2CCCC2)c1Cl.
What is the InChIKey of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is PTQJDVNTTORFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-8-10(15)6-17-13(12(8)16)18-11(19)7-21-14(20)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,17,18,19).
What are the key properties of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate?
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 331.20 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 2093970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).