(Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine

C17H16F2N6O — CID 155233502

IUPAC(Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine
SMILESN/C(=C\N(N)Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccncc1
InChIInChI=1S/C17H16F2N6O/c18-15(19)17-24-23-16(26-17)13-3-1-11(2-4-13)9-25(21)10-14(20)12-5-7-22-8-6-12/h1-8,10,15H,9,20-21H2/b14-10-
InChIKeyQVGUCIOTBKBNQL-UVTDQMKNSA-N
MW358.35 g/mol
LogP2.70
Rot. Bonds6

About (Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine

(Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine (PubChem CID 155233502) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is (Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine.

Molecular Properties

Compound Name(Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine
PubChem CID155233502
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name(Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine
SMILESN/C(=C\N(N)Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccncc1
InChIInChI=1S/C17H16F2N6O/c18-15(19)17-24-23-16(26-17)13-3-1-11(2-4-13)9-25(21)10-14(20)12-5-7-22-8-6-12/h1-8,10,15H,9,20-21H2/b14-10-
InChIKeyQVGUCIOTBKBNQL-UVTDQMKNSA-N
XLogP2.70
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine?
The IUPAC name of (Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine (CID 155233502) is (Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine.
What is the SMILES notation for (Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine?
The canonical SMILES for (Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine is N/C(=C\N(N)Cc1ccc(-c2nnc(C(F)F)o2)cc1)c1ccncc1.
What is the InChIKey of (Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine?
The InChIKey is QVGUCIOTBKBNQL-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H16F2N6O/c18-15(19)17-24-23-16(26-17)13-3-1-11(2-4-13)9-25(21)10-14(20)12-5-7-22-8-6-12/h1-8,10,15H,9,20-21H2/b14-10-.
What are the key properties of (Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine?
(Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine has a molecular weight of 358.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]amino]-1-pyridin-4-ylethenamine is sourced from PubChem (CID 155233502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).