[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate

C17H17ClN2O3 — CID 16520860

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate
SMILESCC(OC(=O)CCc1ccccc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H17ClN2O3/c1-12(17(22)20-15-9-8-14(18)11-19-15)23-16(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,19,20,22)
InChIKeyLLPKCQIVRNSNKP-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.24
Rot. Bonds6

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate (PubChem CID 16520860) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate
PubChem CID16520860
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate
SMILESCC(OC(=O)CCc1ccccc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C17H17ClN2O3/c1-12(17(22)20-15-9-8-14(18)11-19-15)23-16(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,19,20,22)
InChIKeyLLPKCQIVRNSNKP-UHFFFAOYSA-N
XLogP3.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate (CID 16520860) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate is CC(OC(=O)CCc1ccccc1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate?
The InChIKey is LLPKCQIVRNSNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-12(17(22)20-15-9-8-14(18)11-19-15)23-16(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,19,20,22).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate has a molecular weight of 332.79 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-phenylpropanoate is sourced from PubChem (CID 16520860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).