2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide

C24H23F3N6O — CID 166774270

IUPAC2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide
SMILES[H]/N=C(\C(=O)Nc1cnccc1F)c1cc(-c2cncc(CN3CCC(F)(F)CC3)c2)ccc1N
InChIInChI=1S/C24H23F3N6O/c25-19-3-6-30-13-21(19)32-23(34)22(29)18-10-16(1-2-20(18)28)17-9-15(11-31-12-17)14-33-7-4-24(26,27)5-8-33/h1-3,6,9-13,29H,4-5,7-8,14,28H2,(H,32,34)/b29-22-
InChIKeyDEIQDBPKKHSHIK-IADYIPOJSA-N
MW468.48 g/mol
LogP4.10
Rot. Bonds6

About 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide

2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide (PubChem CID 166774270) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide.

Molecular Properties

Compound Name2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide
PubChem CID166774270
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide
SMILES[H]/N=C(\C(=O)Nc1cnccc1F)c1cc(-c2cncc(CN3CCC(F)(F)CC3)c2)ccc1N
InChIInChI=1S/C24H23F3N6O/c25-19-3-6-30-13-21(19)32-23(34)22(29)18-10-16(1-2-20(18)28)17-9-15(11-31-12-17)14-33-7-4-24(26,27)5-8-33/h1-3,6,9-13,29H,4-5,7-8,14,28H2,(H,32,34)/b29-22-
InChIKeyDEIQDBPKKHSHIK-IADYIPOJSA-N
XLogP4.10
TPSA107.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide 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 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide?
The IUPAC name of 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide (CID 166774270) is 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide.
What is the SMILES notation for 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide?
The canonical SMILES for 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide is [H]/N=C(\C(=O)Nc1cnccc1F)c1cc(-c2cncc(CN3CCC(F)(F)CC3)c2)ccc1N.
What is the InChIKey of 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide?
The InChIKey is DEIQDBPKKHSHIK-IADYIPOJSA-N. The full InChI is InChI=1S/C24H23F3N6O/c25-19-3-6-30-13-21(19)32-23(34)22(29)18-10-16(1-2-20(18)28)17-9-15(11-31-12-17)14-33-7-4-24(26,27)5-8-33/h1-3,6,9-13,29H,4-5,7-8,14,28H2,(H,32,34)/b29-22-.
What are the key properties of 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide?
2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide has a molecular weight of 468.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]phenyl]-N-(4-fluoro-3-pyridinyl)-2-iminoacetamide is sourced from PubChem (CID 166774270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).