5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

C20H31N3O4S — CID 71093640

IUPAC5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1)C(=O)NC
InChIInChI=1S/C20H31N3O4S/c1-6-20(7-2,19(25)21-5)23-17(24)16-11-10-15(14-8-9-14)18(22-16)28(26,27)12-13(3)4/h10-11,13-14H,6-9,12H2,1-5H3,(H,21,25)(H,23,24)
InChIKeyGQPWKIHZZXUZNU-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.42
Rot. Bonds9

About 5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (PubChem CID 71093640) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
PubChem CID71093640
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1)C(=O)NC
InChIInChI=1S/C20H31N3O4S/c1-6-20(7-2,19(25)21-5)23-17(24)16-11-10-15(14-8-9-14)18(22-16)28(26,27)12-13(3)4/h10-11,13-14H,6-9,12H2,1-5H3,(H,21,25)(H,23,24)
InChIKeyGQPWKIHZZXUZNU-UHFFFAOYSA-N
XLogP2.42
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-Amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 74763838
2-{[5-Cyclopropyl-6-(2-methyl-propane-1-sulfonyl)-pyridine-2-carbonyl]-amino}-2-ethyl-butyric acid ethyl ester
CID 71087758
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)-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 tert-butyl-methyl-amide
CID 90203806

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (CID 71093640) is 5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is CCC(CC)(NC(=O)c1ccc(C2CC2)c(S(=O)(=O)CC(C)C)n1)C(=O)NC.
What is the InChIKey of 5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The InChIKey is GQPWKIHZZXUZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-6-20(7-2,19(25)21-5)23-17(24)16-11-10-15(14-8-9-14)18(22-16)28(26,27)12-13(3)4/h10-11,13-14H,6-9,12H2,1-5H3,(H,21,25)(H,23,24).
What are the key properties of 5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 71093640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).