2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide

C14H16N4O4S — CID 167377634

IUPAC2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
SMILESCCS(=O)(=O)c1ccc([C@@H](CO)c2ncc(C(N)=O)cn2)nc1
InChIInChI=1S/C14H16N4O4S/c1-2-23(21,22)10-3-4-12(16-7-10)11(8-19)14-17-5-9(6-18-14)13(15)20/h3-7,11,19H,2,8H2,1H3,(H2,15,20)/t11-/m1/s1
InChIKeyZEGQWYVJOTUYOB-LLVKDONJSA-N
MW336.37 g/mol
LogP-0.11
Rot. Bonds6

About 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide

2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide (PubChem CID 167377634) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
PubChem CID167377634
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Name2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
SMILESCCS(=O)(=O)c1ccc([C@@H](CO)c2ncc(C(N)=O)cn2)nc1
InChIInChI=1S/C14H16N4O4S/c1-2-23(21,22)10-3-4-12(16-7-10)11(8-19)14-17-5-9(6-18-14)13(15)20/h3-7,11,19H,2,8H2,1H3,(H2,15,20)/t11-/m1/s1
InChIKeyZEGQWYVJOTUYOB-LLVKDONJSA-N
XLogP-0.11
TPSA136.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethylsulfonyl-2-pyridinyl)methyl carbamate
CID 175147070
3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride
CID 166644076
(3S)-3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride
CID 156774026
(7R)-7-ethyl-N-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 135301504
1-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]-2-[[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide
CID 153454400
6-propan-2-ylpyridine-3-carboxamide
CID 821161
2-[(1S)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]benzamide
CID 167377603
(1S)-1-ethyl-5-[[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]carbamoyl]-1,3-dihydroisoindole-2-carboxylic acid
CID 121303539
6-[(1R)-1-ethoxyethyl]pyridine-3-carboxamide
CID 135044920
2-tert-butyl-5-ethylsulfonylpyridine
CID 146657361
6-[(4-ethylsulfonylphenyl)methyl]-5-nitropyridine-3-carboxamide
CID 174921448
4-(hydroxymethylsulfonyl)benzamide
CID 58552991

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide (CID 167377634) is 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide is CCS(=O)(=O)c1ccc([C@@H](CO)c2ncc(C(N)=O)cn2)nc1.
What is the InChIKey of 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
The InChIKey is ZEGQWYVJOTUYOB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-2-23(21,22)10-3-4-12(16-7-10)11(8-19)14-17-5-9(6-18-14)13(15)20/h3-7,11,19H,2,8H2,1H3,(H2,15,20)/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide?
2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide has a molecular weight of 336.37 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(5-ethylsulfonyl-2-pyridinyl)-2-hydroxyethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 167377634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).