4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

C24H28F2N6O2 — CID 137282181

IUPAC4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESC=N[C@H]1CC(F)(F)C[C@@H]1Nc1cc[nH]c(=O)c1/C(N)=N/c1ccc(C(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C24H28F2N6O2/c1-14-11-15(5-6-16(14)23(34)32-9-3-4-10-32)30-21(27)20-17(7-8-29-22(20)33)31-19-13-24(25,26)12-18(19)28-2/h5-8,11,18-19H,2-4,9-10,12-13H2,1H3,(H2,27,30)(H2,29,31,33)/t18-,19-/m0/s1
InChIKeyJIGQFVNJHNYAFV-OALUTQOASA-N
MW470.52 g/mol
LogP3.24
Rot. Bonds6

About 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282181) has the molecular formula C24H28F2N6O2 and a molecular weight of 470.52 g/mol. Its IUPAC name is 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282181
Molecular FormulaC24H28F2N6O2
Molecular Weight470.52 g/mol
Exact Mass470.22
IUPAC Name4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESC=N[C@H]1CC(F)(F)C[C@@H]1Nc1cc[nH]c(=O)c1/C(N)=N/c1ccc(C(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C24H28F2N6O2/c1-14-11-15(5-6-16(14)23(34)32-9-3-4-10-32)30-21(27)20-17(7-8-29-22(20)33)31-19-13-24(25,26)12-18(19)28-2/h5-8,11,18-19H,2-4,9-10,12-13H2,1H3,(H2,27,30)(H2,29,31,33)/t18-,19-/m0/s1
InChIKeyJIGQFVNJHNYAFV-OALUTQOASA-N
XLogP3.24
TPSA115.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide 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 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (CID 137282181) is 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is C=N[C@H]1CC(F)(F)C[C@@H]1Nc1cc[nH]c(=O)c1/C(N)=N/c1ccc(C(=O)N2CCCC2)c(C)c1.
What is the InChIKey of 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is JIGQFVNJHNYAFV-OALUTQOASA-N. The full InChI is InChI=1S/C24H28F2N6O2/c1-14-11-15(5-6-16(14)23(34)32-9-3-4-10-32)30-21(27)20-17(7-8-29-22(20)33)31-19-13-24(25,26)12-18(19)28-2/h5-8,11,18-19H,2-4,9-10,12-13H2,1H3,(H2,27,30)(H2,29,31,33)/t18-,19-/m0/s1.
What are the key properties of 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 470.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).