2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide

C17H13F2N9O2 — CID 162722801

IUPAC2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cnc1N
InChIInChI=1S/C17H13F2N9O2/c18-12(19)17-25-24-16(30-17)9-3-1-8(2-4-9)7-28-26-15(23-27-28)10-5-11(14(21)29)13(20)22-6-10/h1-6,12H,7H2,(H2,20,22)(H2,21,29)
InChIKeyWWZHQMVYUGETHM-UHFFFAOYSA-N
MW413.35 g/mol
LogP1.45
Rot. Bonds6

About 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide

2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide (PubChem CID 162722801) has the molecular formula C17H13F2N9O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide
PubChem CID162722801
Molecular FormulaC17H13F2N9O2
Molecular Weight413.35 g/mol
Exact Mass413.12
IUPAC Name2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cnc1N
InChIInChI=1S/C17H13F2N9O2/c18-12(19)17-25-24-16(30-17)9-3-1-8(2-4-9)7-28-26-15(23-27-28)10-5-11(14(21)29)13(20)22-6-10/h1-6,12H,7H2,(H2,20,22)(H2,21,29)
InChIKeyWWZHQMVYUGETHM-UHFFFAOYSA-N
XLogP1.45
TPSA164.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide (CID 162722801) is 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide is NC(=O)c1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cnc1N.
What is the InChIKey of 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide?
The InChIKey is WWZHQMVYUGETHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N9O2/c18-12(19)17-25-24-16(30-17)9-3-1-8(2-4-9)7-28-26-15(23-27-28)10-5-11(14(21)29)13(20)22-6-10/h1-6,12H,7H2,(H2,20,22)(H2,21,29).
What are the key properties of 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide?
2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide has a molecular weight of 413.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 162722801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).