N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide

C22H27FN4O2 — CID 170617322

IUPACN,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCN(C)C=O.Cc1ccc(NC(=O)N2C3CCCC2C3)cc1-c1cncc(F)c1
InChIInChI=1S/C19H20FN3O.C3H7NO/c1-12-5-6-15(8-18(12)13-7-14(20)11-21-10-13)22-19(24)23-16-3-2-4-17(23)9-16;1-4(2)3-5/h5-8,10-11,16-17H,2-4,9H2,1H3,(H,22,24);3H,1-2H3
InChIKeyVHMMQLWDHQCZEK-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.06
Rot. Bonds3

About N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide

N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 170617322) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID170617322
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC NameN,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESCN(C)C=O.Cc1ccc(NC(=O)N2C3CCCC2C3)cc1-c1cncc(F)c1
InChIInChI=1S/C19H20FN3O.C3H7NO/c1-12-5-6-15(8-18(12)13-7-14(20)11-21-10-13)22-19(24)23-16-3-2-4-17(23)9-16;1-4(2)3-5/h5-8,10-11,16-17H,2-4,9H2,1H3,(H,22,24);3H,1-2H3
InChIKeyVHMMQLWDHQCZEK-UHFFFAOYSA-N
XLogP4.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide 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,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide (CID 170617322) is N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide is CN(C)C=O.Cc1ccc(NC(=O)N2C3CCCC2C3)cc1-c1cncc(F)c1.
What is the InChIKey of N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is VHMMQLWDHQCZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O.C3H7NO/c1-12-5-6-15(8-18(12)13-7-14(20)11-21-10-13)22-19(24)23-16-3-2-4-17(23)9-16;1-4(2)3-5/h5-8,10-11,16-17H,2-4,9H2,1H3,(H,22,24);3H,1-2H3.
What are the key properties of N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?
N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 170617322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).