N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

C18H28N2O3S — CID 90203806

IUPACN-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)CS(=O)(=O)c1nc(C(=O)N(C)C(C)(C)C)ccc1C1CC1
InChIInChI=1S/C18H28N2O3S/c1-12(2)11-24(22,23)16-14(13-7-8-13)9-10-15(19-16)17(21)20(6)18(3,4)5/h9-10,12-13H,7-8,11H2,1-6H3
InChIKeyHXCJLVBXFJMNHR-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.26
Rot. Bonds5

About N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (PubChem CID 90203806) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
PubChem CID90203806
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)CS(=O)(=O)c1nc(C(=O)N(C)C(C)(C)C)ccc1C1CC1
InChIInChI=1S/C18H28N2O3S/c1-12(2)11-24(22,23)16-14(13-7-8-13)9-10-15(19-16)17(21)20(6)18(3,4)5/h9-10,12-13H,7-8,11H2,1-6H3
InChIKeyHXCJLVBXFJMNHR-UHFFFAOYSA-N
XLogP3.26
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carbonyl]-amino}-2-ethyl-butyric acid ethyl ester
CID 71087758
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide
CID 71093640
6-(2-Methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105715
5-Cyclopropyl-6-isobutylsulfanyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105728
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105736
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-3,3-dimethyl-1-methylcarbamoyl-butyl)-amide
CID 71105749
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid ((S)-2,2,2-trifluoro-1-pyridin-3-yl-ethyl)-amide
CID 71105750
5-cyclopropyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
CID 71113183
[5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridin-2-yl]-(4,4-dimethyl-oxazolidin-3-yl)-methanone
CID 76282133
[5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridin-2-yl]-(2,2-dimethyl-pyrrolidin-1-yl)-methanone
CID 90203535
5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carboxylic acid (3-carbamoylmethyl-oxetan-3-yl)-amide
CID 76287083
N-[3-(2-Amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-6-(2-methylpropylsulfanyl)pyridine-2-carboxamide
CID 90213845

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (CID 90203806) is N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is CC(C)CS(=O)(=O)c1nc(C(=O)N(C)C(C)(C)C)ccc1C1CC1.
What is the InChIKey of N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The InChIKey is HXCJLVBXFJMNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-12(2)11-24(22,23)16-14(13-7-8-13)9-10-15(19-16)17(21)20(6)18(3,4)5/h9-10,12-13H,7-8,11H2,1-6H3.
What are the key properties of N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-cyclopropyl-N-methyl-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 90203806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).