N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide

C15H19N3O3S — CID 75377807

IUPACN-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide
SMILESCC(C)(C)CS(=O)(=O)NC(=O)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C15H19N3O3S/c1-15(2,3)11-22(20,21)17-14(19)12-6-7-13(16-10-12)18-8-4-5-9-18/h4-10H,11H2,1-3H3,(H,17,19)
InChIKeyFZJHJRWKAGOZEH-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.98
Rot. Bonds4

About N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide

N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide (PubChem CID 75377807) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide
PubChem CID75377807
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide
SMILESCC(C)(C)CS(=O)(=O)NC(=O)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C15H19N3O3S/c1-15(2,3)11-22(20,21)17-14(19)12-6-7-13(16-10-12)18-8-4-5-9-18/h4-10H,11H2,1-3H3,(H,17,19)
InChIKeyFZJHJRWKAGOZEH-UHFFFAOYSA-N
XLogP1.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 10060343
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111970527
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111972019
N-[(3-hydroxythiolan-3-yl)methyl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111970532
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-(2,2-dimethylpropyl)-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide
CID 23588390
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
1-(6-pyrrol-1-yl-3-pyridinyl)ethanol
CID 131298512
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide
CID 95629528

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide (CID 75377807) is N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide is CC(C)(C)CS(=O)(=O)NC(=O)c1ccc(-n2cccc2)nc1.
What is the InChIKey of N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide?
The InChIKey is FZJHJRWKAGOZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-15(2,3)11-22(20,21)17-14(19)12-6-7-13(16-10-12)18-8-4-5-9-18/h4-10H,11H2,1-3H3,(H,17,19).
What are the key properties of N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide?
N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropylsulfonyl)-6-pyrrol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 75377807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).