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

C21H19ClN2O2 — CID 56676013

IUPAC3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C21H19ClN2O2/c1-24(2)20(25)15-5-3-6-17(13-15)21(26,18-7-4-12-23-14-18)16-8-10-19(22)11-9-16/h3-14,26H,1-2H3
InChIKeySQQNYAIDNSSHEM-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.72
Rot. Bonds4

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

3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide (PubChem CID 56676013) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide
PubChem CID56676013
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C21H19ClN2O2/c1-24(2)20(25)15-5-3-6-17(13-15)21(26,18-7-4-12-23-14-18)16-8-10-19(22)11-9-16/h3-14,26H,1-2H3
InChIKeySQQNYAIDNSSHEM-UHFFFAOYSA-N
XLogP3.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.72
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-dimethylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide (CID 56676013) is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide?
The InChIKey is SQQNYAIDNSSHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-24(2)20(25)15-5-3-6-17(13-15)21(26,18-7-4-12-23-14-18)16-8-10-19(22)11-9-16/h3-14,26H,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide?
3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N,N-dimethylbenzamide has a molecular weight of 366.85 g/mol, XLogP of 3.72, 4 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-dimethylbenzamide is sourced from PubChem (CID 56676013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).