N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

C18H22N4O3 — CID 75372439

IUPACN-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1cccn(Cc2nc(C3CC3)no2)c1=O
InChIInChI=1S/C18H22N4O3/c1-11(12-5-6-12)21(2)17(23)14-4-3-9-22(18(14)24)10-15-19-16(20-25-15)13-7-8-13/h3-4,9,11-13H,5-8,10H2,1-2H3
InChIKeyXCATXXJKEWGSNS-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.03
Rot. Bonds6

About N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide

N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 75372439) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID75372439
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1cccn(Cc2nc(C3CC3)no2)c1=O
InChIInChI=1S/C18H22N4O3/c1-11(12-5-6-12)21(2)17(23)14-4-3-9-22(18(14)24)10-15-19-16(20-25-15)13-7-8-13/h3-4,9,11-13H,5-8,10H2,1-2H3
InChIKeyXCATXXJKEWGSNS-UHFFFAOYSA-N
XLogP2.03
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 75372439) is N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide is CC(C1CC1)N(C)C(=O)c1cccn(Cc2nc(C3CC3)no2)c1=O.
What is the InChIKey of N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is XCATXXJKEWGSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(12-5-6-12)21(2)17(23)14-4-3-9-22(18(14)24)10-15-19-16(20-25-15)13-7-8-13/h3-4,9,11-13H,5-8,10H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide?
N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 75372439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).