3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile

C9H11FN4 — CID 130503947

IUPAC3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCCF)c1N
InChIInChI=1S/C9H11FN4/c10-3-1-4-13-9-8(12)7(6-11)2-5-14-9/h2,5H,1,3-4,12H2,(H,13,14)
InChIKeyLFTSCFQBXQCUBG-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.31
Rot. Bonds4

About 3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile

3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile (PubChem CID 130503947) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
PubChem CID130503947
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCCF)c1N
InChIInChI=1S/C9H11FN4/c10-3-1-4-13-9-8(12)7(6-11)2-5-14-9/h2,5H,1,3-4,12H2,(H,13,14)
InChIKeyLFTSCFQBXQCUBG-UHFFFAOYSA-N
XLogP1.31
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-[4-(dimethylamino)butylamino]pyridine-4-carbonitrile
CID 82817310
3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
CID 82816731
tert-butyl N-[3-[(3-amino-4-cyano-2-pyridinyl)amino]propyl]carbamate
CID 114517926
3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
CID 82817077
3-amino-2-(2-pyrrolidin-1-ylethylamino)pyridine-4-carbonitrile
CID 82817159
3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
CID 82816791
3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82816968
3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile
CID 82817533
2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid
CID 82817313
3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
CID 82816718
3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816871

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile (CID 130503947) is 3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCCCF)c1N.
What is the InChIKey of 3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile?
The InChIKey is LFTSCFQBXQCUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c10-3-1-4-13-9-8(12)7(6-11)2-5-14-9/h2,5H,1,3-4,12H2,(H,13,14).
What are the key properties of 3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile?
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile has a molecular weight of 194.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 130503947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).