1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine

C13H14N6O — CID 168605479

IUPAC1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine
SMILESNC(N)=N/C(N)=N/c1cccc(Oc2cccnc2)c1
InChIInChI=1S/C13H14N6O/c14-12(15)19-13(16)18-9-3-1-4-10(7-9)20-11-5-2-6-17-8-11/h1-8H,(H6,14,15,16,18,19)
InChIKeyPLFDUGOGUKOBFI-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.09
Rot. Bonds3

About 1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine

1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine (PubChem CID 168605479) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine
PubChem CID168605479
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine
SMILESNC(N)=N/C(N)=N/c1cccc(Oc2cccnc2)c1
InChIInChI=1S/C13H14N6O/c14-12(15)19-13(16)18-9-3-1-4-10(7-9)20-11-5-2-6-17-8-11/h1-8H,(H6,14,15,16,18,19)
InChIKeyPLFDUGOGUKOBFI-UHFFFAOYSA-N
XLogP1.09
TPSA124.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.09
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

2-[3-(cyanomethoxy)phenyl]-1-(diaminomethylidene)guanidine
CID 168604167
N'-[N'-(3-phenoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 118055936
1-(diaminomethylidene)-2-[3-nitro-5-(1-pyridin-3-ylethylideneamino)oxyphenyl]guanidine
CID 168604130
1-N',4-N'-bis[N'-(3-methoxyphenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
CID 134152566
2,6-dipyridin-3-yloxyphenol
CID 139940524
1-(diaminomethylidene)-2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]guanidine
CID 168604617
1-(diaminomethylidene)-2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]guanidine
CID 168602189
N'-hydroxy-5-pyridin-3-yloxypyridine-2-carboximidamide
CID 136990827
1-(3-pyridin-3-yloxyphenyl)propan-2-amine
CID 63941950
methanesulfonic acid;3-(3-methylphenoxy)pyridine
CID 117068642
3-[3-[1-[1-(3-pyridin-3-yloxyphenoxy)prop-2-ynoxy]prop-2-ynoxy]phenoxy]pyridine
CID 19422151
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine (CID 168605479) is 1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine is NC(N)=N/C(N)=N/c1cccc(Oc2cccnc2)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine?
The InChIKey is PLFDUGOGUKOBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c14-12(15)19-13(16)18-9-3-1-4-10(7-9)20-11-5-2-6-17-8-11/h1-8H,(H6,14,15,16,18,19).
What are the key properties of 1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine?
1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine has a molecular weight of 270.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3-pyridin-3-yloxyphenyl)guanidine is sourced from PubChem (CID 168605479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).