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

C18H26N4O4S — CID 71105716

IUPACN-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCc1nc([C@H](CC(C)C)NC(=O)c2cccc(S(=O)(=O)CC(C)C)n2)no1
InChIInChI=1S/C18H26N4O4S/c1-11(2)9-15(17-19-13(5)26-22-17)21-18(23)14-7-6-8-16(20-14)27(24,25)10-12(3)4/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,23)/t15-/m0/s1
InChIKeySGOPBLWCGZIDED-HNNXBMFYSA-N
MW394.50 g/mol
LogP2.72
Rot. Bonds8

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

N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (PubChem CID 71105716) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
PubChem CID71105716
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC NameN-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCc1nc([C@H](CC(C)C)NC(=O)c2cccc(S(=O)(=O)CC(C)C)n2)no1
InChIInChI=1S/C18H26N4O4S/c1-11(2)9-15(17-19-13(5)26-22-17)21-18(23)14-7-6-8-16(20-14)27(24,25)10-12(3)4/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,23)/t15-/m0/s1
InChIKeySGOPBLWCGZIDED-HNNXBMFYSA-N
XLogP2.72
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (CID 71105716) is N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is Cc1nc([C@H](CC(C)C)NC(=O)c2cccc(S(=O)(=O)CC(C)C)n2)no1.
What is the InChIKey of N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The InChIKey is SGOPBLWCGZIDED-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-11(2)9-15(17-19-13(5)26-22-17)21-18(23)14-7-6-8-16(20-14)27(24,25)10-12(3)4/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)butyl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).