N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine

C10H15FN6 — CID 90315458

IUPACN-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine
SMILES[N-]=[N+]=NCNC1=C(F)C(N2CCCC2)=CCN1
InChIInChI=1S/C10H15FN6/c11-9-8(17-5-1-2-6-17)3-4-13-10(9)14-7-15-16-12/h3,13-14H,1-2,4-7H2
InChIKeyZRKRZFPGVXOIEZ-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.57
Rot. Bonds4

About N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine

N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine (PubChem CID 90315458) has the molecular formula C10H15FN6 and a molecular weight of 238.27 g/mol. Its IUPAC name is N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine
PubChem CID90315458
Molecular FormulaC10H15FN6
Molecular Weight238.27 g/mol
Exact Mass238.13
IUPAC NameN-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine
SMILES[N-]=[N+]=NCNC1=C(F)C(N2CCCC2)=CCN1
InChIInChI=1S/C10H15FN6/c11-9-8(17-5-1-2-6-17)3-4-13-10(9)14-7-15-16-12/h3,13-14H,1-2,4-7H2
InChIKeyZRKRZFPGVXOIEZ-UHFFFAOYSA-N
XLogP1.57
TPSA76.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine?
The IUPAC name of N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine (CID 90315458) is N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine.
What is the SMILES notation for N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine?
The canonical SMILES for N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine is [N-]=[N+]=NCNC1=C(F)C(N2CCCC2)=CCN1.
What is the InChIKey of N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine?
The InChIKey is ZRKRZFPGVXOIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN6/c11-9-8(17-5-1-2-6-17)3-4-13-10(9)14-7-15-16-12/h3,13-14H,1-2,4-7H2.
What are the key properties of N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine?
N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine has a molecular weight of 238.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azidomethyl)-5-fluoro-4-pyrrolidin-1-yl-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 90315458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).