N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide

C16H18N2O2 — CID 77087853

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CO)cc2)cc(C)n1
InChIInChI=1S/C16H18N2O2/c1-11-7-15(8-12(2)18-11)16(20)17-9-13-3-5-14(10-19)6-4-13/h3-8,19H,9-10H2,1-2H3,(H,17,20)
InChIKeyIDRBPICQJOPSST-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.12
Rot. Bonds4

About N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide

N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide (PubChem CID 77087853) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
PubChem CID77087853
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(CO)cc2)cc(C)n1
InChIInChI=1S/C16H18N2O2/c1-11-7-15(8-12(2)18-11)16(20)17-9-13-3-5-14(10-19)6-4-13/h3-8,19H,9-10H2,1-2H3,(H,17,20)
InChIKeyIDRBPICQJOPSST-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230293
3-(4-ethylphenyl)-5-[4-(hydroxymethyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959958
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107231345
4-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 107230340
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide (CID 77087853) is N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(CO)cc2)cc(C)n1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide?
The InChIKey is IDRBPICQJOPSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-7-15(8-12(2)18-11)16(20)17-9-13-3-5-14(10-19)6-4-13/h3-8,19H,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 77087853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).