5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

C21H28N4O4S — CID 71105770

IUPAC5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCc1nc([C@@](C)(NC(=O)c2ccc(C3CC3)c(S(=O)(=O)CC(C)C)n2)C2CC2)no1
InChIInChI=1S/C21H28N4O4S/c1-12(2)11-30(27,28)19-16(14-5-6-14)9-10-17(23-19)18(26)24-21(4,15-7-8-15)20-22-13(3)29-25-20/h9-10,12,14-15H,5-8,11H2,1-4H3,(H,24,26)/t21-/m0/s1
InChIKeyXOMUKZYXMPQWKV-NRFANRHFSA-N
MW432.55 g/mol
LogP3.14
Rot. Bonds8

About 5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (PubChem CID 71105770) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
PubChem CID71105770
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCc1nc([C@@](C)(NC(=O)c2ccc(C3CC3)c(S(=O)(=O)CC(C)C)n2)C2CC2)no1
InChIInChI=1S/C21H28N4O4S/c1-12(2)11-30(27,28)19-16(14-5-6-14)9-10-17(23-19)18(26)24-21(4,15-7-8-15)20-22-13(3)29-25-20/h9-10,12,14-15H,5-8,11H2,1-4H3,(H,24,26)/t21-/m0/s1
InChIKeyXOMUKZYXMPQWKV-NRFANRHFSA-N
XLogP3.14
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (CID 71105770) is 5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is Cc1nc([C@@](C)(NC(=O)c2ccc(C3CC3)c(S(=O)(=O)CC(C)C)n2)C2CC2)no1.
What is the InChIKey of 5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The InChIKey is XOMUKZYXMPQWKV-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-12(2)11-30(27,28)19-16(14-5-6-14)9-10-17(23-19)18(26)24-21(4,15-7-8-15)20-22-13(3)29-25-20/h9-10,12,14-15H,5-8,11H2,1-4H3,(H,24,26)/t21-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1S)-1-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).