N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

C14H13N5O2 — CID 99833842

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(CNc2nnc(-c3ccncc3)o2)n1
InChIInChI=1S/C14H13N5O2/c1-20-12-4-2-3-11(17-12)9-16-14-19-18-13(21-14)10-5-7-15-8-6-10/h2-8H,9H2,1H3,(H,16,19)
InChIKeyOVHVBIIOFCTLSZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.15
Rot. Bonds5

About N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 99833842) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID99833842
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(CNc2nnc(-c3ccncc3)o2)n1
InChIInChI=1S/C14H13N5O2/c1-20-12-4-2-3-11(17-12)9-16-14-19-18-13(21-14)10-5-7-15-8-6-10/h2-8H,9H2,1H3,(H,16,19)
InChIKeyOVHVBIIOFCTLSZ-UHFFFAOYSA-N
XLogP2.15
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 99833842) is N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is COc1cccc(CNc2nnc(-c3ccncc3)o2)n1.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is OVHVBIIOFCTLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-20-12-4-2-3-11(17-12)9-16-14-19-18-13(21-14)10-5-7-15-8-6-10/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 283.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 99833842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).