3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide

C24H26N2O2 — CID 118767981

IUPAC3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1ccnc(CC(C)N(C)C(=O)c2cccc(-c3cccc(CO)c3)c2)c1
InChIInChI=1S/C24H26N2O2/c1-17-10-11-25-23(12-17)13-18(2)26(3)24(28)22-9-5-8-21(15-22)20-7-4-6-19(14-20)16-27/h4-12,14-15,18,27H,13,16H2,1-3H3
InChIKeyLGNHWIQUBNWPRO-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.25
Rot. Bonds6

About 3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide

3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (PubChem CID 118767981) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
PubChem CID118767981
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1ccnc(CC(C)N(C)C(=O)c2cccc(-c3cccc(CO)c3)c2)c1
InChIInChI=1S/C24H26N2O2/c1-17-10-11-25-23(12-17)13-18(2)26(3)24(28)22-9-5-8-21(15-22)20-7-4-6-19(14-20)16-27/h4-12,14-15,18,27H,13,16H2,1-3H3
InChIKeyLGNHWIQUBNWPRO-UHFFFAOYSA-N
XLogP4.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The IUPAC name of 3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (CID 118767981) is 3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The canonical SMILES for 3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is Cc1ccnc(CC(C)N(C)C(=O)c2cccc(-c3cccc(CO)c3)c2)c1.
What is the InChIKey of 3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The InChIKey is LGNHWIQUBNWPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17-10-11-25-23(12-17)13-18(2)26(3)24(28)22-9-5-8-21(15-22)20-7-4-6-19(14-20)16-27/h4-12,14-15,18,27H,13,16H2,1-3H3.
What are the key properties of 3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide has a molecular weight of 374.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)phenyl]-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is sourced from PubChem (CID 118767981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).