N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide

C22H19FN8O2 — CID 135245906

IUPACN-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(/C(N)=C(\c3ccncc3)N(N)c3ccccc3F)n2)cn1
InChIInChI=1S/C22H19FN8O2/c1-13(32)28-18-7-6-15(12-27-18)21-29-22(33-30-21)19(24)20(14-8-10-26-11-9-14)31(25)17-5-3-2-4-16(17)23/h2-12H,24-25H2,1H3,(H,27,28,32)/b20-19-
InChIKeyGQTRBIRMWGPNMP-VXPUYCOJSA-N
MW446.45 g/mol
LogP2.79
Rot. Bonds6

About N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide

N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide (PubChem CID 135245906) has the molecular formula C22H19FN8O2 and a molecular weight of 446.45 g/mol. Its IUPAC name is N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
PubChem CID135245906
Molecular FormulaC22H19FN8O2
Molecular Weight446.45 g/mol
Exact Mass446.16
IUPAC NameN-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2noc(/C(N)=C(\c3ccncc3)N(N)c3ccccc3F)n2)cn1
InChIInChI=1S/C22H19FN8O2/c1-13(32)28-18-7-6-15(12-27-18)21-29-22(33-30-21)19(24)20(14-8-10-26-11-9-14)31(25)17-5-3-2-4-16(17)23/h2-12H,24-25H2,1H3,(H,27,28,32)/b20-19-
InChIKeyGQTRBIRMWGPNMP-VXPUYCOJSA-N
XLogP2.79
TPSA149.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

CID 11633721
CID 11633721
CID 11719006
CID 11719006
CID 57870151
CID 57870151
CID 132258713
CID 132258713
CID 141686181
CID 141686181
CID 44448591
CID 44448591
CID 57877673
CID 57877673
CID 57877903
CID 57877903
CID 57877905
CID 57877905
CID 49676000
CID 49676000
CID 52993053
CID 52993053
CID 137990541
CID 137990541

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide (CID 135245906) is N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2noc(/C(N)=C(\c3ccncc3)N(N)c3ccccc3F)n2)cn1.
What is the InChIKey of N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide?
The InChIKey is GQTRBIRMWGPNMP-VXPUYCOJSA-N. The full InChI is InChI=1S/C22H19FN8O2/c1-13(32)28-18-7-6-15(12-27-18)21-29-22(33-30-21)19(24)20(14-8-10-26-11-9-14)31(25)17-5-3-2-4-16(17)23/h2-12H,24-25H2,1H3,(H,27,28,32)/b20-19-.
What are the key properties of N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide?
N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide has a molecular weight of 446.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(Z)-1-amino-2-(N-amino-2-fluoroanilino)-2-pyridin-4-ylethenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 135245906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).