5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

C21H33N3O4S — CID 71105749

IUPAC5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1
InChIInChI=1S/C21H33N3O4S/c1-13(2)12-29(27,28)20-15(14-7-8-14)9-10-16(24-20)19(26)23-17(18(25)22-6)11-21(3,4)5/h9-10,13-14,17H,7-8,11-12H2,1-6H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyIDMHYNGEEYMJAY-KRWDZBQOSA-N
MW423.58 g/mol
LogP2.67
Rot. Bonds8

About 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (PubChem CID 71105749) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
PubChem CID71105749
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1
InChIInChI=1S/C21H33N3O4S/c1-13(2)12-29(27,28)20-15(14-7-8-14)9-10-16(24-20)19(26)23-17(18(25)22-6)11-21(3,4)5/h9-10,13-14,17H,7-8,11-12H2,1-6H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyIDMHYNGEEYMJAY-KRWDZBQOSA-N
XLogP2.67
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide with MolForge

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Related Compounds

6-tert-butyl-N-[(3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-(methylsulfonylmethyl)cyclohexyl]-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 68767802
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-Isobutylsulfanyl-pyridine-2-carboxylic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide
CID 71105714
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)-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 tert-butyl-methyl-amide
CID 90203806

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (CID 71105749) is 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The InChIKey is IDMHYNGEEYMJAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-13(2)12-29(27,28)20-15(14-7-8-14)9-10-16(24-20)19(26)23-17(18(25)22-6)11-21(3,4)5/h9-10,13-14,17H,7-8,11-12H2,1-6H3,(H,22,25)(H,23,26)/t17-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).