1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

C16H16N4O — CID 63305449

IUPAC1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1cccnc1CNCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H16N4O/c1-12-6-5-9-18-14(12)10-17-11-15-19-20-16(21-15)13-7-3-2-4-8-13/h2-9,17H,10-11H2,1H3
InChIKeyCVCXBYSYXBTNGE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.73
Rot. Bonds5

About 1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 63305449) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID63305449
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1cccnc1CNCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H16N4O/c1-12-6-5-9-18-14(12)10-17-11-15-19-20-16(21-15)13-7-3-2-4-8-13/h2-9,17H,10-11H2,1H3
InChIKeyCVCXBYSYXBTNGE-UHFFFAOYSA-N
XLogP2.73
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 63305449) is 1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is Cc1cccnc1CNCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is CVCXBYSYXBTNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12-6-5-9-18-14(12)10-17-11-15-19-20-16(21-15)13-7-3-2-4-8-13/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 280.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 63305449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).