N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H20FN7O3 — CID 175394522

IUPACN-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C=NN=C(N)N)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H20FN7O3/c1-11(28)23-9-14-10-27(19(29)30-14)13-3-4-15(16(20)6-13)17-5-2-12(7-24-17)8-25-26-18(21)22/h2-8,14H,9-10H2,1H3,(H,23,28)(H4,21,22,26)
InChIKeyGJWBTUWPSMWKES-UHFFFAOYSA-N
MW413.41 g/mol
LogP0.96
Rot. Bonds6

About N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 175394522) has the molecular formula C19H20FN7O3 and a molecular weight of 413.41 g/mol. Its IUPAC name is N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID175394522
Molecular FormulaC19H20FN7O3
Molecular Weight413.41 g/mol
Exact Mass413.16
IUPAC NameN-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C=NN=C(N)N)cn3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H20FN7O3/c1-11(28)23-9-14-10-27(19(29)30-14)13-3-4-15(16(20)6-13)17-5-2-12(7-24-17)8-25-26-18(21)22/h2-8,14H,9-10H2,1H3,(H,23,28)(H4,21,22,26)
InChIKeyGJWBTUWPSMWKES-UHFFFAOYSA-N
XLogP0.96
TPSA148.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[4-[5-[(carbamoylhydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 167435308
N-[[3-[3-fluoro-4-[4-(hydroxyiminomethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173196227
N-[[(5R)-3-[4-[4-[(5S)-5-[(diaminomethylideneamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10345940
N-[[(5S)-3-[3-fluoro-4-[5-(3-pyridin-4-ylpropyl)-2-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58045433
N-[[(5S)-3-[4-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 175394534
N-[[3-[4-[2-(1-aminocyclopropyl)pyrimidin-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72957971
N-[[3-[4-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-fluoro-2-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 175394491
N-[[(5S)-3-[3-fluoro-4-[3-[(E)-hydroxyiminomethyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58239179
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
strontium;N-[[(5S)-3-[3-fluoro-4-(4-methanidylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;hydride
CID 173478166
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
3-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-3-oxopropanoic acid
CID 10370215

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 175394522) is N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(C=NN=C(N)N)cn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is GJWBTUWPSMWKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O3/c1-11(28)23-9-14-10-27(19(29)30-14)13-3-4-15(16(20)6-13)17-5-2-12(7-24-17)8-25-26-18(21)22/h2-8,14H,9-10H2,1H3,(H,23,28)(H4,21,22,26).
What are the key properties of N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 413.41 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 175394522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).