N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide

C15H20N4O3 — CID 50961818

IUPACN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C15H20N4O3/c1-4-19(15(21)11-6-5-7-13(20)16-11)9-12-17-14(22-18-12)8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,16,20)
InChIKeyMWRODTDWUDUJDB-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.62
Rot. Bonds6

About N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide

N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 50961818) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID50961818
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCCN(Cc1noc(CC(C)C)n1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C15H20N4O3/c1-4-19(15(21)11-6-5-7-13(20)16-11)9-12-17-14(22-18-12)8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,16,20)
InChIKeyMWRODTDWUDUJDB-UHFFFAOYSA-N
XLogP1.62
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 50961818) is N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide is CCN(Cc1noc(CC(C)C)n1)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is MWRODTDWUDUJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-19(15(21)11-6-5-7-13(20)16-11)9-12-17-14(22-18-12)8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,16,20).
What are the key properties of N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 50961818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).