1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine

C14H15FN6O — CID 168605002

IUPAC1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(OCc2ccncc2)c(F)c1
InChIInChI=1S/C14H15FN6O/c15-11-7-10(20-14(18)21-13(16)17)1-2-12(11)22-8-9-3-5-19-6-4-9/h1-7H,8H2,(H6,16,17,18,20,21)
InChIKeyVSHOPXZFLMEMKN-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.02
Rot. Bonds4

About 1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine

1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine (PubChem CID 168605002) has the molecular formula C14H15FN6O and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine
PubChem CID168605002
Molecular FormulaC14H15FN6O
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(OCc2ccncc2)c(F)c1
InChIInChI=1S/C14H15FN6O/c15-11-7-10(20-14(18)21-13(16)17)1-2-12(11)22-8-9-3-5-19-6-4-9/h1-7H,8H2,(H6,16,17,18,20,21)
InChIKeyVSHOPXZFLMEMKN-UHFFFAOYSA-N
XLogP1.02
TPSA124.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-fluoro-N'-hydroxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 107666368
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
1-(diaminomethylidene)-2-[4-(2-phenylmethoxyphenyl)phenyl]guanidine
CID 168603689
3-fluoro-4-(2-pyridin-4-ylethoxy)benzenecarbothioamide
CID 107665812
2-chloro-N'-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 169368725
4-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 62464402
pyridin-4-ylmethyl N-(diaminomethylidene)carbamate
CID 175822954
1-(diaminomethylidene)-2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]guanidine
CID 168604353
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
1-(diaminomethylidene)-2-(3-fluoroquinolin-7-yl)guanidine
CID 168603731
N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-2-fluorophenyl]acetamide
CID 168602665

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine (CID 168605002) is 1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccc(OCc2ccncc2)c(F)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine?
The InChIKey is VSHOPXZFLMEMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN6O/c15-11-7-10(20-14(18)21-13(16)17)1-2-12(11)22-8-9-3-5-19-6-4-9/h1-7H,8H2,(H6,16,17,18,20,21).
What are the key properties of 1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine?
1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine has a molecular weight of 302.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]guanidine is sourced from PubChem (CID 168605002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).