N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide

C15H16N2O2S — CID 78856709

IUPACN-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
SMILESCC(CO)NC(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-11(10-18)17-14(19)13-8-5-9-16-15(13)20-12-6-3-2-4-7-12/h2-9,11,18H,10H2,1H3,(H,17,19)
InChIKeyVXAVTDWWVIMMHE-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.34
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide

N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 78856709) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID78856709
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
SMILESCC(CO)NC(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-11(10-18)17-14(19)13-8-5-9-16-15(13)20-12-6-3-2-4-7-12/h2-9,11,18H,10H2,1H3,(H,17,19)
InChIKeyVXAVTDWWVIMMHE-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 4784859
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
N-(4-hydroxy-2-methylpentyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111447058
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
2-(3,4-dimethylphenyl)sulfanyl-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 18161224
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 33275524
N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2558813

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide (CID 78856709) is N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide is CC(CO)NC(=O)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is VXAVTDWWVIMMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(10-18)17-14(19)13-8-5-9-16-15(13)20-12-6-3-2-4-7-12/h2-9,11,18H,10H2,1H3,(H,17,19).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide?
N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 78856709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).