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

C14H11Cl2N3O3 — CID 2625986

IUPAC[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)c2ccncc2)c1Cl
InChIInChI=1S/C14H11Cl2N3O3/c1-8-10(15)6-18-13(12(8)16)19-11(20)7-22-14(21)9-2-4-17-5-3-9/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyMREUWFAOTAKQKP-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.89
Rot. Bonds4

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

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 2625986) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate
PubChem CID2625986
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)c2ccncc2)c1Cl
InChIInChI=1S/C14H11Cl2N3O3/c1-8-10(15)6-18-13(12(8)16)19-11(20)7-22-14(21)9-2-4-17-5-3-9/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyMREUWFAOTAKQKP-UHFFFAOYSA-N
XLogP2.89
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate (CID 2625986) is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate is Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccncc2)c1Cl.
What is the InChIKey of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is MREUWFAOTAKQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c1-8-10(15)6-18-13(12(8)16)19-11(20)7-22-14(21)9-2-4-17-5-3-9/h2-6H,7H2,1H3,(H,18,19,20).
What are the key properties of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate?
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate has a molecular weight of 340.17 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] pyridine-4-carboxylate is sourced from PubChem (CID 2625986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).