N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide

C13H20FN3O — CID 61293798

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H20FN3O/c1-13(2,9-17(3)4)8-16-12(18)10-5-6-15-11(14)7-10/h5-7H,8-9H2,1-4H3,(H,16,18)
InChIKeyXNVPFUYLHAGYTP-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.54
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide (PubChem CID 61293798) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
PubChem CID61293798
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccnc(F)c1
InChIInChI=1S/C13H20FN3O/c1-13(2,9-17(3)4)8-16-12(18)10-5-6-15-11(14)7-10/h5-7H,8-9H2,1-4H3,(H,16,18)
InChIKeyXNVPFUYLHAGYTP-UHFFFAOYSA-N
XLogP1.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoropyridine-4-carboxamide
CID 103840043
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 62151627
2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propylamino)pyridine-4-carboxamide
CID 62186803
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
CID 144683885
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide
CID 61294593
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dihydroxybenzamide
CID 103893143
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-iodobenzamide
CID 55684463

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide (CID 61293798) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide is CN(C)CC(C)(C)CNC(=O)c1ccnc(F)c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide?
The InChIKey is XNVPFUYLHAGYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-13(2,9-17(3)4)8-16-12(18)10-5-6-15-11(14)7-10/h5-7H,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide has a molecular weight of 253.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61293798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).