N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide

C13H16N4O2 — CID 77089701

IUPACN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide
SMILESCc1nnc(CN(C)C(=O)CCc2cccnc2)o1
InChIInChI=1S/C13H16N4O2/c1-10-15-16-12(19-10)9-17(2)13(18)6-5-11-4-3-7-14-8-11/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyXAWKJZDFNNRQGA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.36
Rot. Bonds5

About N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide (PubChem CID 77089701) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide
PubChem CID77089701
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide
SMILESCc1nnc(CN(C)C(=O)CCc2cccnc2)o1
InChIInChI=1S/C13H16N4O2/c1-10-15-16-12(19-10)9-17(2)13(18)6-5-11-4-3-7-14-8-11/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyXAWKJZDFNNRQGA-UHFFFAOYSA-N
XLogP1.36
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide (CID 77089701) is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide is Cc1nnc(CN(C)C(=O)CCc2cccnc2)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is XAWKJZDFNNRQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10-15-16-12(19-10)9-17(2)13(18)6-5-11-4-3-7-14-8-11/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide?
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 260.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 77089701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).