N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

C20H18N6O2 — CID 11740119

IUPACN-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(Nc2nnc(-c3cccnc3NCc3cccnc3)o2)c1
InChIInChI=1S/C20H18N6O2/c1-27-16-7-2-6-15(11-16)24-20-26-25-19(28-20)17-8-4-10-22-18(17)23-13-14-5-3-9-21-12-14/h2-12H,13H2,1H3,(H,22,23)(H,24,26)
InChIKeyCLANVIKTIMFCOO-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.89
Rot. Bonds7

About N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine

N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 11740119) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID11740119
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(Nc2nnc(-c3cccnc3NCc3cccnc3)o2)c1
InChIInChI=1S/C20H18N6O2/c1-27-16-7-2-6-15(11-16)24-20-26-25-19(28-20)17-8-4-10-22-18(17)23-13-14-5-3-9-21-12-14/h2-12H,13H2,1H3,(H,22,23)(H,24,26)
InChIKeyCLANVIKTIMFCOO-UHFFFAOYSA-N
XLogP3.89
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 11740119) is N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is COc1cccc(Nc2nnc(-c3cccnc3NCc3cccnc3)o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CLANVIKTIMFCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-27-16-7-2-6-15(11-16)24-20-26-25-19(28-20)17-8-4-10-22-18(17)23-13-14-5-3-9-21-12-14/h2-12H,13H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 374.40 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-[2-(pyridin-3-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11740119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).