N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide

C17H21N3O — CID 113026364

IUPACN-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NCc2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-17(2,3)16(21)20-15-10-9-14(12-19-15)18-11-13-7-5-4-6-8-13/h4-10,12,18H,11H2,1-3H3,(H,19,20,21)
InChIKeyIZDVFNCGUFKXGX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.68
Rot. Bonds4

About N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide

N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 113026364) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID113026364
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NCc2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-17(2,3)16(21)20-15-10-9-14(12-19-15)18-11-13-7-5-4-6-8-13/h4-10,12,18H,11H2,1-3H3,(H,19,20,21)
InChIKeyIZDVFNCGUFKXGX-UHFFFAOYSA-N
XLogP3.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
CID 113026424
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
CID 1452729
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
N-benzyl-6-hydrazinylpyridin-3-amine
CID 82054997
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 1452758
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113037485
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 58417149
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide (CID 113026364) is N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(NCc2ccccc2)cn1.
What is the InChIKey of N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is IZDVFNCGUFKXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2,3)16(21)20-15-10-9-14(12-19-15)18-11-13-7-5-4-6-8-13/h4-10,12,18H,11H2,1-3H3,(H,19,20,21).
What are the key properties of N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 283.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113026364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).