N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide

C19H17FN6O — CID 123384692

IUPACN-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESNC(N)=Nc1cnc(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C19H17FN6O/c20-14-5-1-12(2-6-14)9-18(27)25-15-7-3-13(4-8-15)16-10-24-17(11-23-16)26-19(21)22/h1-8,10-11H,9H2,(H,25,27)(H4,21,22,24,26)
InChIKeyKHMMIHRTUNCENU-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.37
Rot. Bonds5

About N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide

N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 123384692) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID123384692
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC NameN-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESNC(N)=Nc1cnc(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C19H17FN6O/c20-14-5-1-12(2-6-14)9-18(27)25-15-7-3-13(4-8-15)16-10-24-17(11-23-16)26-19(21)22/h1-8,10-11H,9H2,(H,25,27)(H4,21,22,24,26)
InChIKeyKHMMIHRTUNCENU-UHFFFAOYSA-N
XLogP2.37
TPSA119.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7593264
2-(4-fluorophenyl)-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 50835518
2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213086
2-(4-fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 110726518
N-[4-[6-[[amino-(2-methoxy-4-methylanilino)methylidene]amino]-3-pyridinyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 123953601
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531
tert-butyl carbamate;2-(4-fluorophenyl)-N-(4-pyridin-4-ylphenyl)acetamide
CID 174568523
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 143420632
N-(1,3-benzoxazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 110728862

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide (CID 123384692) is N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide is NC(N)=Nc1cnc(-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)cn1.
What is the InChIKey of N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is KHMMIHRTUNCENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c20-14-5-1-12(2-6-14)9-18(27)25-15-7-3-13(4-8-15)16-10-24-17(11-23-16)26-19(21)22/h1-8,10-11H,9H2,(H,25,27)(H4,21,22,24,26).
What are the key properties of N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide?
N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 364.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(diaminomethylideneamino)pyrazin-2-yl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 123384692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).