N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide

C15H16N2O2S — CID 110929877

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)NCc2ccccc2CO)cn1
InChIInChI=1S/C15H16N2O2S/c1-20-14-7-6-12(9-16-14)15(19)17-8-11-4-2-3-5-13(11)10-18/h2-7,9,18H,8,10H2,1H3,(H,17,19)
InChIKeyRYKAMJSGVBLHJN-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.23
Rot. Bonds5

About N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide

N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide (PubChem CID 110929877) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide
PubChem CID110929877
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)NCc2ccccc2CO)cn1
InChIInChI=1S/C15H16N2O2S/c1-20-14-7-6-12(9-16-14)15(19)17-8-11-4-2-3-5-13(11)10-18/h2-7,9,18H,8,10H2,1H3,(H,17,19)
InChIKeyRYKAMJSGVBLHJN-UHFFFAOYSA-N
XLogP2.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 111115313
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 86885243
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028
4-N,4-N-diethyl-1-N-[[2-(hydroxymethyl)phenyl]methyl]benzene-1,4-dicarboxamide
CID 111102347
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110909083
(6-methylsulfanyl-3-pyridinyl)-phenylmethanone
CID 102546554
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 110929854
3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 111458178
N-[[2-(hydroxymethyl)phenyl]methyl]-4-[methyl(propyl)amino]benzamide
CID 110909622
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide (CID 110929877) is N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide is CSc1ccc(C(=O)NCc2ccccc2CO)cn1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide?
The InChIKey is RYKAMJSGVBLHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-20-14-7-6-12(9-16-14)15(19)17-8-11-4-2-3-5-13(11)10-18/h2-7,9,18H,8,10H2,1H3,(H,17,19).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 110929877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).