N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide

C10H14N2O3S — CID 66175806

IUPACN-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(O)CO
InChIInChI=1S/C10H14N2O3S/c1-16-10-8(3-2-4-11-10)9(15)12-5-7(14)6-13/h2-4,7,13-14H,5-6H2,1H3,(H,12,15)
InChIKeyIDDORLIVVLNDIH-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.11
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide

N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 66175806) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID66175806
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC NameN-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(O)CO
InChIInChI=1S/C10H14N2O3S/c1-16-10-8(3-2-4-11-10)9(15)12-5-7(14)6-13/h2-4,7,13-14H,5-6H2,1H3,(H,12,15)
InChIKeyIDDORLIVVLNDIH-UHFFFAOYSA-N
XLogP-0.11
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 95379231
N-(2-methylprop-2-enyl)-2-methylsulfanylpyridine-3-carboxamide
CID 114618909
2-methylsulfanyl-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 47230711
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121132753
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97042451
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 121180121
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 15523797

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide (CID 66175806) is N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is IDDORLIVVLNDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-16-10-8(3-2-4-11-10)9(15)12-5-7(14)6-13/h2-4,7,13-14H,5-6H2,1H3,(H,12,15).
What are the key properties of N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 242.30 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 66175806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).