N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide

C9H10F3N3O — CID 114383432

IUPACN-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
SMILESNCC(F)(F)CNC(=O)c1ccncc1F
InChIInChI=1S/C9H10F3N3O/c10-7-3-14-2-1-6(7)8(16)15-5-9(11,12)4-13/h1-3H,4-5,13H2,(H,15,16)
InChIKeyQXPDOSAVQBBMQX-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.54
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide

N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide (PubChem CID 114383432) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
PubChem CID114383432
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
SMILESNCC(F)(F)CNC(=O)c1ccncc1F
InChIInChI=1S/C9H10F3N3O/c10-7-3-14-2-1-6(7)8(16)15-5-9(11,12)4-13/h1-3H,4-5,13H2,(H,15,16)
InChIKeyQXPDOSAVQBBMQX-UHFFFAOYSA-N
XLogP0.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537
3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)pyridine-4-carboxamide
CID 103825033
N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide
CID 104864896
N-(2,2-dimethylheptyl)-3-fluoropyridine-4-carboxamide
CID 115686817
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
CID 114758967
N-(3-amino-2,2-difluoropropyl)-2-hydroxybenzamide
CID 114383534
N-(2-bromoprop-2-enyl)-3-fluoropyridine-4-carboxamide
CID 115646427
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
CID 114383835

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide (CID 114383432) is N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide is NCC(F)(F)CNC(=O)c1ccncc1F.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is QXPDOSAVQBBMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-7-3-14-2-1-6(7)8(16)15-5-9(11,12)4-13/h1-3H,4-5,13H2,(H,15,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide?
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 233.19 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 114383432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).