3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide

C23H28N6O3 — CID 56580120

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
SMILESCC(C)C(NC(=O)CCNC(=O)N(C)Cc1ccccc1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C23H28N6O3/c1-16(2)20(22-27-21(28-32-22)18-10-7-12-24-14-18)26-19(30)11-13-25-23(31)29(3)15-17-8-5-4-6-9-17/h4-10,12,14,16,20H,11,13,15H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyWNDDWXDIPGENAA-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.18
Rot. Bonds9

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide (PubChem CID 56580120) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
PubChem CID56580120
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide
SMILESCC(C)C(NC(=O)CCNC(=O)N(C)Cc1ccccc1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C23H28N6O3/c1-16(2)20(22-27-21(28-32-22)18-10-7-12-24-14-18)26-19(30)11-13-25-23(31)29(3)15-17-8-5-4-6-9-17/h4-10,12,14,16,20H,11,13,15H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyWNDDWXDIPGENAA-UHFFFAOYSA-N
XLogP3.18
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52518584
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
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
3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 125178000
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
CID 56516603
2,5-dimethyl-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrrole-3-carboxamide
CID 56509929
N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42649451
1-(3,5-difluorophenyl)-3-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 95239719

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide (CID 56580120) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide is CC(C)C(NC(=O)CCNC(=O)N(C)Cc1ccccc1)c1nc(-c2cccnc2)no1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
The InChIKey is WNDDWXDIPGENAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16(2)20(22-27-21(28-32-22)18-10-7-12-24-14-18)26-19(30)11-13-25-23(31)29(3)15-17-8-5-4-6-9-17/h4-10,12,14,16,20H,11,13,15H2,1-3H3,(H,25,31)(H,26,30).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide has a molecular weight of 436.52 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide is sourced from PubChem (CID 56580120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).