N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide

C16H22N4O2 — CID 87010762

IUPACN-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCCCc1noc(CCCC(=O)N(C)Cc2cccnc2)n1
InChIInChI=1S/C16H22N4O2/c1-3-6-14-18-15(22-19-14)8-4-9-16(21)20(2)12-13-7-5-10-17-11-13/h5,7,10-11H,3-4,6,8-9,12H2,1-2H3
InChIKeyNUBMNBOAPVAETF-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.40
Rot. Bonds8

About N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide

N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 87010762) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID87010762
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCCCc1noc(CCCC(=O)N(C)Cc2cccnc2)n1
InChIInChI=1S/C16H22N4O2/c1-3-6-14-18-15(22-19-14)8-4-9-16(21)20(2)12-13-7-5-10-17-11-13/h5,7,10-11H,3-4,6,8-9,12H2,1-2H3
InChIKeyNUBMNBOAPVAETF-UHFFFAOYSA-N
XLogP2.40
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87011070
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 86822664
1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344251
N-(1-aminopropan-2-yl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119584608
N-[(4-bromophenyl)methyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55663153
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 86824576
N-(3-amino-4-methylpentyl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119660679
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide (CID 87010762) is N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide is CCCc1noc(CCCC(=O)N(C)Cc2cccnc2)n1.
What is the InChIKey of N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is NUBMNBOAPVAETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-6-14-18-15(22-19-14)8-4-9-16(21)20(2)12-13-7-5-10-17-11-13/h5,7,10-11H,3-4,6,8-9,12H2,1-2H3.
What are the key properties of N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 302.38 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 87010762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).