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

C20H20N4O3 — CID 149474637

IUPACN-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)Cc2nnc(C)o2)cc([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H20N4O3/c1-12(14-7-5-4-6-8-14)16-9-15(10-17(22-16)20(26)21-3)18(25)11-19-24-23-13(2)27-19/h4-10,12H,11H2,1-3H3,(H,21,26)/t12-/m0/s1
InChIKeyZCAPLULKRGOTEW-LBPRGKRZSA-N
MW364.41 g/mol
LogP2.71
Rot. Bonds6

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

N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide (PubChem CID 149474637) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
PubChem CID149474637
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)Cc2nnc(C)o2)cc([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H20N4O3/c1-12(14-7-5-4-6-8-14)16-9-15(10-17(22-16)20(26)21-3)18(25)11-19-24-23-13(2)27-19/h4-10,12H,11H2,1-3H3,(H,21,26)/t12-/m0/s1
InChIKeyZCAPLULKRGOTEW-LBPRGKRZSA-N
XLogP2.71
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide (CID 149474637) is N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide is CNC(=O)c1cc(C(=O)Cc2nnc(C)o2)cc([C@@H](C)c2ccccc2)n1.
What is the InChIKey of N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide?
The InChIKey is ZCAPLULKRGOTEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12(14-7-5-4-6-8-14)16-9-15(10-17(22-16)20(26)21-3)18(25)11-19-24-23-13(2)27-19/h4-10,12H,11H2,1-3H3,(H,21,26)/t12-/m0/s1.
What are the key properties of N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide?
N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 149474637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).