3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide

C14H15FN4 — CID 55111525

IUPAC3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide
SMILES[H]/N=C(\N)CCN(c1ccccc1)c1ncccc1F
InChIInChI=1S/C14H15FN4/c15-12-7-4-9-18-14(12)19(10-8-13(16)17)11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H3,16,17)
InChIKeyRGIUMQZUBWPEPO-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.68
Rot. Bonds5

About 3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide

3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide (PubChem CID 55111525) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide.

Molecular Properties

Compound Name3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide
PubChem CID55111525
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide
SMILES[H]/N=C(\N)CCN(c1ccccc1)c1ncccc1F
InChIInChI=1S/C14H15FN4/c15-12-7-4-9-18-14(12)19(10-8-13(16)17)11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H3,16,17)
InChIKeyRGIUMQZUBWPEPO-UHFFFAOYSA-N
XLogP2.68
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
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-(N-(2-oxo-1H-pyrazin-3-yl)anilino)propanimidamide
CID 114570768
3-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]propanimidamide
CID 62733411
3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide
CID 63285684
3-(N-(5-iodopyrimidin-2-yl)anilino)propanimidamide
CID 116648348
3-(N-quinolin-2-ylanilino)propanimidamide
CID 24701549
N'-(3-fluoro-2-pyridinyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 62734340
3-[(2,3-difluorophenyl)methyl-methylamino]propanimidamide
CID 43658900
N'-hydroxy-3-(N-(3-methylpyrazin-2-yl)anilino)propanimidamide
CID 83064180
3-[N-[(3-chloro-2-fluorophenyl)methyl]anilino]propanimidamide
CID 102856088
2-[2-(dimethylamino)-3-pyridinyl]ethanimidamide
CID 83875000
3-[N-(3-methylsulfonylpropyl)anilino]propanimidamide
CID 63191645
4-(N-ethylanilino)butanimidamide
CID 24691564

Frequently Asked Questions

What is the IUPAC name of 3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide?
The IUPAC name of 3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide (CID 55111525) is 3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide.
What is the SMILES notation for 3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide?
The canonical SMILES for 3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide is [H]/N=C(\N)CCN(c1ccccc1)c1ncccc1F.
What is the InChIKey of 3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide?
The InChIKey is RGIUMQZUBWPEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c15-12-7-4-9-18-14(12)19(10-8-13(16)17)11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H3,16,17).
What are the key properties of 3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide?
3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide has a molecular weight of 258.30 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(3-fluoro-2-pyridinyl)anilino)propanimidamide is sourced from PubChem (CID 55111525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).