3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide

C23H23ClN2O2 — CID 56669057

IUPAC3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C23H23ClN2O2/c1-3-26(4-2)22(27)17-7-5-8-19(15-17)23(28,20-9-6-14-25-16-20)18-10-12-21(24)13-11-18/h5-16,28H,3-4H2,1-2H3
InChIKeyCHBHNYVRFILVPE-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.50
Rot. Bonds6

About 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide

3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide (PubChem CID 56669057) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide
PubChem CID56669057
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C23H23ClN2O2/c1-3-26(4-2)22(27)17-7-5-8-19(15-17)23(28,20-9-6-14-25-16-20)18-10-12-21(24)13-11-18/h5-16,28H,3-4H2,1-2H3
InChIKeyCHBHNYVRFILVPE-UHFFFAOYSA-N
XLogP4.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide (CID 56669057) is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide?
The InChIKey is CHBHNYVRFILVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-3-26(4-2)22(27)17-7-5-8-19(15-17)23(28,20-9-6-14-25-16-20)18-10-12-21(24)13-11-18/h5-16,28H,3-4H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide?
3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide has a molecular weight of 394.90 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 56669057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).