1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C21H22N6O3 — CID 56509413

IUPAC1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)C(NC(=O)c1ccc2c(c1)NC(=O)CN2C)c1nc(-c2cccnc2)no1
InChIInChI=1S/C21H22N6O3/c1-12(2)18(21-25-19(26-30-21)14-5-4-8-22-10-14)24-20(29)13-6-7-16-15(9-13)23-17(28)11-27(16)3/h4-10,12,18H,11H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyVNCFWJVXNWBXQB-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.65
Rot. Bonds5

About 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 56509413) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID56509413
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)C(NC(=O)c1ccc2c(c1)NC(=O)CN2C)c1nc(-c2cccnc2)no1
InChIInChI=1S/C21H22N6O3/c1-12(2)18(21-25-19(26-30-21)14-5-4-8-22-10-14)24-20(29)13-6-7-16-15(9-13)23-17(28)11-27(16)3/h4-10,12,18H,11H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyVNCFWJVXNWBXQB-UHFFFAOYSA-N
XLogP2.65
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]imidazole-4-carboxamide
CID 122138041
1-methyl-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 95156422
2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide
CID 56509929
1-(3,5-difluorophenyl)-3-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 95239719
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119871699
3-cyclopentyl-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52863068
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56510323
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 51133640
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 52517954
1-(3-fluoro-5-methylphenyl)-3-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 126767138
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 94817594
2-cyclopent-2-en-1-yl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 51107775

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 56509413) is 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CC(C)C(NC(=O)c1ccc2c(c1)NC(=O)CN2C)c1nc(-c2cccnc2)no1.
What is the InChIKey of 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is VNCFWJVXNWBXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-12(2)18(21-25-19(26-30-21)14-5-4-8-22-10-14)24-20(29)13-6-7-16-15(9-13)23-17(28)11-27(16)3/h4-10,12,18H,11H2,1-3H3,(H,23,28)(H,24,29).
What are the key properties of 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 56509413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).