N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide

C20H28FN7 — CID 173488630

IUPACN'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide
SMILESC/N=C1\NC=C(F)CC1C(N)=Nc1cc(N2CCC2)nc(C2CCCCC2)n1
InChIInChI=1S/C20H28FN7/c1-23-20-15(10-14(21)12-24-20)18(22)25-16-11-17(28-8-5-9-28)27-19(26-16)13-6-3-2-4-7-13/h11-13,15H,2-10H2,1H3,(H,23,24)(H2,22,25,26,27)
InChIKeyXVSGDUAZACBHLD-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.17
Rot. Bonds4

About N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide

N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide (PubChem CID 173488630) has the molecular formula C20H28FN7 and a molecular weight of 385.49 g/mol. Its IUPAC name is N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide
PubChem CID173488630
Molecular FormulaC20H28FN7
Molecular Weight385.49 g/mol
Exact Mass385.24
IUPAC NameN'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide
SMILESC/N=C1\NC=C(F)CC1C(N)=Nc1cc(N2CCC2)nc(C2CCCCC2)n1
InChIInChI=1S/C20H28FN7/c1-23-20-15(10-14(21)12-24-20)18(22)25-16-11-17(28-8-5-9-28)27-19(26-16)13-6-3-2-4-7-13/h11-13,15H,2-10H2,1H3,(H,23,24)(H2,22,25,26,27)
InChIKeyXVSGDUAZACBHLD-UHFFFAOYSA-N
XLogP3.17
TPSA91.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-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 N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide (CID 173488630) is N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide is C/N=C1\NC=C(F)CC1C(N)=Nc1cc(N2CCC2)nc(C2CCCCC2)n1.
What is the InChIKey of N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide?
The InChIKey is XVSGDUAZACBHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN7/c1-23-20-15(10-14(21)12-24-20)18(22)25-16-11-17(28-8-5-9-28)27-19(26-16)13-6-3-2-4-7-13/h11-13,15H,2-10H2,1H3,(H,23,24)(H2,22,25,26,27).
What are the key properties of N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide?
N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide has a molecular weight of 385.49 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(azetidin-1-yl)-2-cyclohexylpyrimidin-4-yl]-5-fluoro-2-methylimino-3,4-dihydro-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 173488630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).