[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate

C16H14ClN3O4 — CID 2625357

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H14ClN3O4/c17-12-6-7-13(18-8-12)20-14(21)10-24-15(22)9-19-16(23)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,23)(H,18,20,21)
InChIKeyNVWKPAQMSDWXCH-UHFFFAOYSA-N
MW347.76 g/mol
LogP1.65
Rot. Bonds6

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate (PubChem CID 2625357) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate
PubChem CID2625357
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H14ClN3O4/c17-12-6-7-13(18-8-12)20-14(21)10-24-15(22)9-19-16(23)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,23)(H,18,20,21)
InChIKeyNVWKPAQMSDWXCH-UHFFFAOYSA-N
XLogP1.65
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate (CID 2625357) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate is O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is NVWKPAQMSDWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c17-12-6-7-13(18-8-12)20-14(21)10-24-15(22)9-19-16(23)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,23)(H,18,20,21).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 347.76 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 2625357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).