2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide

C20H22Cl2N4O2 — CID 78901120

IUPAC2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C20H22Cl2N4O2/c1-13(24-20(28)15-6-5-7-16(21)18(15)22)19(27)25-17-9-8-14(12-23-17)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,28)(H,23,25,27)
InChIKeyVXTHNKBXVGIDAE-UHFFFAOYSA-N
MW421.33 g/mol
LogP4.14
Rot. Bonds5

About 2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide

2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide (PubChem CID 78901120) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide
PubChem CID78901120
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C20H22Cl2N4O2/c1-13(24-20(28)15-6-5-7-16(21)18(15)22)19(27)25-17-9-8-14(12-23-17)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,28)(H,23,25,27)
InChIKeyVXTHNKBXVGIDAE-UHFFFAOYSA-N
XLogP4.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide (CID 78901120) is 2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1ccc(N2CCCCC2)cn1.
What is the InChIKey of 2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide?
The InChIKey is VXTHNKBXVGIDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c1-13(24-20(28)15-6-5-7-16(21)18(15)22)19(27)25-17-9-8-14(12-23-17)26-10-3-2-4-11-26/h5-9,12-13H,2-4,10-11H2,1H3,(H,24,28)(H,23,25,27).
What are the key properties of 2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide?
2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide has a molecular weight of 421.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide is sourced from PubChem (CID 78901120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).