N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide

C19H18N2O2S — CID 111112175

IUPACN-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)NCC(O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C19H18N2O2S/c1-24-18-9-8-16(11-20-18)19(23)21-12-17(22)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,17,22H,12H2,1H3,(H,21,23)
InChIKeyWDUDUOXMOAAPAK-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.42
Rot. Bonds5

About N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide

N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide (PubChem CID 111112175) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide
PubChem CID111112175
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)NCC(O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C19H18N2O2S/c1-24-18-9-8-16(11-20-18)19(23)21-12-17(22)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,17,22H,12H2,1H3,(H,21,23)
InChIKeyWDUDUOXMOAAPAK-UHFFFAOYSA-N
XLogP3.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 110929854
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]naphthalene-2-carboxamide
CID 90581445
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-(2-hydroxy-2-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide
CID 111434804
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide
CID 97227601
2-N-(2-hydroxy-2-naphthalen-2-ylethyl)thiophene-2,4-dicarboxamide
CID 111112103
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 95190317

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide (CID 111112175) is N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide is CSc1ccc(C(=O)NCC(O)c2ccc3ccccc3c2)cn1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide?
The InChIKey is WDUDUOXMOAAPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-24-18-9-8-16(11-20-18)19(23)21-12-17(22)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,17,22H,12H2,1H3,(H,21,23).
What are the key properties of N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide?
N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-2-ylethyl)-6-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 111112175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).