N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide

C20H27FN4O — CID 42622970

IUPACN-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C20H27FN4O/c1-20(2,3)12-18(26)23-16-10-11-17(24-19(16)25(4)5)22-13-14-6-8-15(21)9-7-14/h6-11H,12-13H2,1-5H3,(H,22,24)(H,23,26)
InChIKeyKQYZTLYQCASQDD-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide

N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 42622970) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide
PubChem CID42622970
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC NameN-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C20H27FN4O/c1-20(2,3)12-18(26)23-16-10-11-17(24-19(16)25(4)5)22-13-14-6-8-15(21)9-7-14/h6-11H,12-13H2,1-5H3,(H,22,24)(H,23,26)
InChIKeyKQYZTLYQCASQDD-UHFFFAOYSA-N
XLogP4.27
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide 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-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide (CID 42622970) is N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide is CN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is KQYZTLYQCASQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-20(2,3)12-18(26)23-16-10-11-17(24-19(16)25(4)5)22-13-14-6-8-15(21)9-7-14/h6-11H,12-13H2,1-5H3,(H,22,24)(H,23,26).
What are the key properties of N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide?
N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 358.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 42622970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).