2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine

C14H12F2N6O — CID 155712019

IUPAC2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine
SMILESNc1cccnc1NCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C14H12F2N6O/c15-11(16)14-22-21-13(23-14)8-3-4-9(19-6-8)7-20-12-10(17)2-1-5-18-12/h1-6,11H,7,17H2,(H,18,20)
InChIKeyFGRCGRMPXKTXLM-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.66
Rot. Bonds5

About 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine

2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine (PubChem CID 155712019) has the molecular formula C14H12F2N6O and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine
PubChem CID155712019
Molecular FormulaC14H12F2N6O
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC Name2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine
SMILESNc1cccnc1NCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C14H12F2N6O/c15-11(16)14-22-21-13(23-14)8-3-4-9(19-6-8)7-20-12-10(17)2-1-5-18-12/h1-6,11H,7,17H2,(H,18,20)
InChIKeyFGRCGRMPXKTXLM-UHFFFAOYSA-N
XLogP2.66
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine with MolForge

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Related Compounds

N-Tert-Butyl-1-(1-{5-[5-(Trifluoromethyl)-1,3,4-Oxadiazol-2-Yl]pyridin-2-Yl}piperidin-4-Yl)-1h-Imidazole-5-Carboxamide
CID 121487936
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644858
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644879
1,3,4-Oxadiazol-2-amine, N-phenyl-5-(3-pyridinyl)-
CID 3041662
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721935
6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine
CID 162722000
N-(3-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)phenyl)morpholine-4-carboxamide
CID 162722023
2-(Difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722076
5-(1-(1-(5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162722116
N-(3-(4-(6-aminopyridin-3-yl)-1H-1,2,3-triazol-1-yl)-3-(5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)propyl)methanesulfonamide
CID 162722272

Frequently Asked Questions

What is the IUPAC name of 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine (CID 155712019) is 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine is Nc1cccnc1NCc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine?
The InChIKey is FGRCGRMPXKTXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N6O/c15-11(16)14-22-21-13(23-14)8-3-4-9(19-6-8)7-20-12-10(17)2-1-5-18-12/h1-6,11H,7,17H2,(H,18,20).
What are the key properties of 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine?
2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine has a molecular weight of 318.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine is sourced from PubChem (CID 155712019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).