3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide

C24H27Cl2N5O — CID 53307155

IUPAC3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
SMILESCc1cc(C)n(CCC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C24H27Cl2N5O/c1-16-12-17(2)31(29-16)11-8-18-6-9-30(10-7-18)23-22(14-21(26)15-27-23)28-24(32)19-4-3-5-20(25)13-19/h3-5,12-15,18H,6-11H2,1-2H3,(H,28,32)
InChIKeyHRCODDYJMURXCO-UHFFFAOYSA-N
MW472.42 g/mol
LogP5.76
Rot. Bonds6

About 3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide

3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 53307155) has the molecular formula C24H27Cl2N5O and a molecular weight of 472.42 g/mol. Its IUPAC name is 3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
PubChem CID53307155
Molecular FormulaC24H27Cl2N5O
Molecular Weight472.42 g/mol
Exact Mass471.16
IUPAC Name3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
SMILESCc1cc(C)n(CCC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C24H27Cl2N5O/c1-16-12-17(2)31(29-16)11-8-18-6-9-30(10-7-18)23-22(14-21(26)15-27-23)28-24(32)19-4-3-5-20(25)13-19/h3-5,12-15,18H,6-11H2,1-2H3,(H,28,32)
InChIKeyHRCODDYJMURXCO-UHFFFAOYSA-N
XLogP5.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide (CID 53307155) is 3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide is Cc1cc(C)n(CCC2CCN(c3ncc(Cl)cc3NC(=O)c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is HRCODDYJMURXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O/c1-16-12-17(2)31(29-16)11-8-18-6-9-30(10-7-18)23-22(14-21(26)15-27-23)28-24(32)19-4-3-5-20(25)13-19/h3-5,12-15,18H,6-11H2,1-2H3,(H,28,32).
What are the key properties of 3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide?
3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 472.42 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-chloro-2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 53307155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).