amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate

C19H22F2N4O2 — CID 53317583

IUPACamino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate
SMILESNOC(=O)c1cncc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C19H22F2N4O2/c20-15-1-2-17(21)13(7-15)9-18(22)12-3-5-25(6-4-12)16-8-14(10-24-11-16)19(26)27-23/h1-2,7-8,10-12,18H,3-6,9,22-23H2/t18-/m1/s1
InChIKeyFGSRUDZYLYKIIO-GOSISDBHSA-N
MW376.41 g/mol
LogP2.18
Rot. Bonds5

About amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate

amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 53317583) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameamino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID53317583
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Nameamino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate
SMILESNOC(=O)c1cncc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C19H22F2N4O2/c20-15-1-2-17(21)13(7-15)9-18(22)12-3-5-25(6-4-12)16-8-14(10-24-11-16)19(26)27-23/h1-2,7-8,10-12,18H,3-6,9,22-23H2/t18-/m1/s1
InChIKeyFGSRUDZYLYKIIO-GOSISDBHSA-N
XLogP2.18
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate 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 amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate (CID 53317583) is amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate is NOC(=O)c1cncc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)c1.
What is the InChIKey of amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is FGSRUDZYLYKIIO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c20-15-1-2-17(21)13(7-15)9-18(22)12-3-5-25(6-4-12)16-8-14(10-24-11-16)19(26)27-23/h1-2,7-8,10-12,18H,3-6,9,22-23H2/t18-/m1/s1.
What are the key properties of amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate?
amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 5-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 53317583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).