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

C20H16N6O3 — CID 11668206

IUPACN-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESc1cnc(NCc2ccncc2)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1
InChIInChI=1S/C20H16N6O3/c1-2-15(18(22-7-1)23-11-13-5-8-21-9-6-13)19-25-26-20(29-19)24-14-3-4-16-17(10-14)28-12-27-16/h1-10H,11-12H2,(H,22,23)(H,24,26)
InChIKeyNNMNQNZESDQXQW-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.61
Rot. Bonds6

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

N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (PubChem CID 11668206) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
PubChem CID11668206
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
SMILESc1cnc(NCc2ccncc2)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1
InChIInChI=1S/C20H16N6O3/c1-2-15(18(22-7-1)23-11-13-5-8-21-9-6-13)19-25-26-20(29-19)24-14-3-4-16-17(10-14)28-12-27-16/h1-10H,11-12H2,(H,22,23)(H,24,26)
InChIKeyNNMNQNZESDQXQW-UHFFFAOYSA-N
XLogP3.61
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 10069735
5-N-(1,3-benzodioxol-5-yl)-3-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952755
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
CID 5147146
N-(3,4-dimethoxyphenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 23644894
N-(1,3-benzodioxol-5-yl)-5-tert-butyl-1,3,4-oxadiazol-2-amine
CID 110456272
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[1-methyl-4-(pyridin-3-ylmethylamino)pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
CID 46889304
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307571
4-[[5-(1,3-benzodioxol-5-ylamino)-1,3,4-oxadiazol-2-yl]methyl]phenol
CID 110456282
N-(1,3-benzodioxol-5-yl)-5-(5-nitro-1H-imidazol-4-yl)-1,3,4-oxadiazol-2-amine
CID 135515041
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999711
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112920002
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridin-2-amine
CID 10432894

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine (CID 11668206) is N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is c1cnc(NCc2ccncc2)c(-c2nnc(Nc3ccc4c(c3)OCO4)o2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NNMNQNZESDQXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c1-2-15(18(22-7-1)23-11-13-5-8-21-9-6-13)19-25-26-20(29-19)24-14-3-4-16-17(10-14)28-12-27-16/h1-10H,11-12H2,(H,22,23)(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 388.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 11668206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).