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

C14H18N4O3 — CID 90647755

IUPACN-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(CCN(C)C(=O)c2ccc[nH]c2=O)no1
InChIInChI=1S/C14H18N4O3/c1-9(2)13-16-11(17-21-13)6-8-18(3)14(20)10-5-4-7-15-12(10)19/h4-5,7,9H,6,8H2,1-3H3,(H,15,19)
InChIKeyULVZKVSINWZDLM-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.20
Rot. Bonds5

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

N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 90647755) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID90647755
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(CCN(C)C(=O)c2ccc[nH]c2=O)no1
InChIInChI=1S/C14H18N4O3/c1-9(2)13-16-11(17-21-13)6-8-18(3)14(20)10-5-4-7-15-12(10)19/h4-5,7,9H,6,8H2,1-3H3,(H,15,19)
InChIKeyULVZKVSINWZDLM-UHFFFAOYSA-N
XLogP1.20
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide (CID 90647755) is N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide is CC(C)c1nc(CCN(C)C(=O)c2ccc[nH]c2=O)no1.
What is the InChIKey of N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is ULVZKVSINWZDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(2)13-16-11(17-21-13)6-8-18(3)14(20)10-5-4-7-15-12(10)19/h4-5,7,9H,6,8H2,1-3H3,(H,15,19).
What are the key properties of N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide?
N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90647755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).