3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide

C22H24N6O3 — CID 52528410

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C
InChIInChI=1S/C22H24N6O3/c1-12(2)19(22-27-20(28-31-22)15-7-9-24-10-8-15)26-18(29)6-5-16-13(3)17(11-23)21(30)25-14(16)4/h7-10,12,19H,5-6H2,1-4H3,(H,25,30)(H,26,29)/t19-/m1/s1
InChIKeyRPVYXXILSBTVJT-LJQANCHMSA-N
MW420.47 g/mol
LogP2.75
Rot. Bonds7

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide (PubChem CID 52528410) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
PubChem CID52528410
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C
InChIInChI=1S/C22H24N6O3/c1-12(2)19(22-27-20(28-31-22)15-7-9-24-10-8-15)26-18(29)6-5-16-13(3)17(11-23)21(30)25-14(16)4/h7-10,12,19H,5-6H2,1-4H3,(H,25,30)(H,26,29)/t19-/m1/s1
InChIKeyRPVYXXILSBTVJT-LJQANCHMSA-N
XLogP2.75
TPSA137.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide (CID 52528410) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The InChIKey is RPVYXXILSBTVJT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-12(2)19(22-27-20(28-31-22)15-7-9-24-10-8-15)26-18(29)6-5-16-13(3)17(11-23)21(30)25-14(16)4/h7-10,12,19H,5-6H2,1-4H3,(H,25,30)(H,26,29)/t19-/m1/s1.
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide has a molecular weight of 420.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1R)-2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide is sourced from PubChem (CID 52528410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).