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

C22H19ClN2O2 — CID 56682509

IUPAC3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C22H19ClN2O2/c23-19-8-6-16(7-9-19)22(27,18-5-2-12-24-14-18)17-4-1-3-15(13-17)21(26)25-20-10-11-20/h1-9,12-14,20,27H,10-11H2,(H,25,26)
InChIKeyMGUBJLGMVPEJMK-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.91
Rot. Bonds5

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

3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide (PubChem CID 56682509) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide
PubChem CID56682509
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1
InChIInChI=1S/C22H19ClN2O2/c23-19-8-6-16(7-9-19)22(27,18-5-2-12-24-14-18)17-4-1-3-15(13-17)21(26)25-20-10-11-20/h1-9,12-14,20,27H,10-11H2,(H,25,26)
InChIKeyMGUBJLGMVPEJMK-UHFFFAOYSA-N
XLogP3.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.91
H-Bond Donors ≤ 52
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-cyclopropylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide (CID 56682509) is 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1cccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide?
The InChIKey is MGUBJLGMVPEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c23-19-8-6-16(7-9-19)22(27,18-5-2-12-24-14-18)17-4-1-3-15(13-17)21(26)25-20-10-11-20/h1-9,12-14,20,27H,10-11H2,(H,25,26).
What are the key properties of 3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide?
3-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]-N-cyclopropylbenzamide has a molecular weight of 378.86 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 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-cyclopropylbenzamide is sourced from PubChem (CID 56682509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).