N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide

C22H22N2O2 — CID 139551332

IUPACN-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)c3ccc(CO)cn3)c2C)c1C
InChIInChI=1S/C22H22N2O2/c1-14-6-4-7-18(15(14)2)19-8-5-9-20(16(19)3)24-22(26)21-11-10-17(13-25)12-23-21/h4-12,25H,13H2,1-3H3,(H,24,26)
InChIKeyQCYXWKYMLJHPPX-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.42
Rot. Bonds4

About N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide

N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 139551332) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID139551332
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide
SMILESCc1cccc(-c2cccc(NC(=O)c3ccc(CO)cn3)c2C)c1C
InChIInChI=1S/C22H22N2O2/c1-14-6-4-7-18(15(14)2)19-8-5-9-20(16(19)3)24-22(26)21-11-10-17(13-25)12-23-21/h4-12,25H,13H2,1-3H3,(H,24,26)
InChIKeyQCYXWKYMLJHPPX-UHFFFAOYSA-N
XLogP4.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide (CID 139551332) is N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide is Cc1cccc(-c2cccc(NC(=O)c3ccc(CO)cn3)c2C)c1C.
What is the InChIKey of N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is QCYXWKYMLJHPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-14-6-4-7-18(15(14)2)19-8-5-9-20(16(19)3)24-22(26)21-11-10-17(13-25)12-23-21/h4-12,25H,13H2,1-3H3,(H,24,26).
What are the key properties of N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide?
N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethylphenyl)-2-methylphenyl]-5-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 139551332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).