N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine

C10H17FN4 — CID 122643818

IUPACN'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine
SMILESNCNC1=C(F)C(N2CCCC2)=CCN1
InChIInChI=1S/C10H17FN4/c11-9-8(15-5-1-2-6-15)3-4-13-10(9)14-7-12/h3,13-14H,1-2,4-7,12H2
InChIKeyPQZCAUIHCZSOEE-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.21
Rot. Bonds3

About N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine

N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine (PubChem CID 122643818) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine.

Molecular Properties

Compound NameN'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine
PubChem CID122643818
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC NameN'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine
SMILESNCNC1=C(F)C(N2CCCC2)=CCN1
InChIInChI=1S/C10H17FN4/c11-9-8(15-5-1-2-6-15)3-4-13-10(9)14-7-12/h3,13-14H,1-2,4-7,12H2
InChIKeyPQZCAUIHCZSOEE-UHFFFAOYSA-N
XLogP0.21
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine?
The IUPAC name of N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine (CID 122643818) is N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine.
What is the SMILES notation for N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine?
The canonical SMILES for N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine is NCNC1=C(F)C(N2CCCC2)=CCN1.
What is the InChIKey of N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine?
The InChIKey is PQZCAUIHCZSOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c11-9-8(15-5-1-2-6-15)3-4-13-10(9)14-7-12/h3,13-14H,1-2,4-7,12H2.
What are the key properties of N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine?
N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine has a molecular weight of 212.27 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-yl)methanediamine is sourced from PubChem (CID 122643818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).