5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide

C19H22ClN3O2 — CID 56903356

IUPAC5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCN1CCC(N(Cc2ccncc2)C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C19H22ClN3O2/c1-22-10-6-16(7-11-22)23(13-14-4-8-21-9-5-14)19(25)17-12-15(20)2-3-18(17)24/h2-5,8-9,12,16,24H,6-7,10-11,13H2,1H3
InChIKeyVUFFNULJIURDSQ-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.18
Rot. Bonds4

About 5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide

5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 56903356) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID56903356
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCN1CCC(N(Cc2ccncc2)C(=O)c2cc(Cl)ccc2O)CC1
InChIInChI=1S/C19H22ClN3O2/c1-22-10-6-16(7-11-22)23(13-14-4-8-21-9-5-14)19(25)17-12-15(20)2-3-18(17)24/h2-5,8-9,12,16,24H,6-7,10-11,13H2,1H3
InChIKeyVUFFNULJIURDSQ-UHFFFAOYSA-N
XLogP3.18
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide (CID 56903356) is 5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide is CN1CCC(N(Cc2ccncc2)C(=O)c2cc(Cl)ccc2O)CC1.
What is the InChIKey of 5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is VUFFNULJIURDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-22-10-6-16(7-11-22)23(13-14-4-8-21-9-5-14)19(25)17-12-15(20)2-3-18(17)24/h2-5,8-9,12,16,24H,6-7,10-11,13H2,1H3.
What are the key properties of 5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide?
5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 359.86 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 56903356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).