N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide

C9H11F2N3O2 — CID 114383719

IUPACN-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNCC(F)(F)CNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C9H11F2N3O2/c10-9(11,4-12)5-14-8(16)6-2-1-3-13-7(6)15/h1-3H,4-5,12H2,(H,13,15)(H,14,16)
InChIKeyCPRZMDURUGLHCU-UHFFFAOYSA-N
MW231.20 g/mol
LogP-0.30
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide

N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 114383719) has the molecular formula C9H11F2N3O2 and a molecular weight of 231.20 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID114383719
Molecular FormulaC9H11F2N3O2
Molecular Weight231.20 g/mol
Exact Mass231.08
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNCC(F)(F)CNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C9H11F2N3O2/c10-9(11,4-12)5-14-8(16)6-2-1-3-13-7(6)15/h1-3H,4-5,12H2,(H,13,15)(H,14,16)
InChIKeyCPRZMDURUGLHCU-UHFFFAOYSA-N
XLogP-0.30
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-2-iodobenzamide
CID 114383668
N-(2-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65110004
N-(3-amino-2,2-difluoropropyl)-2-hydroxybenzamide
CID 114383534
N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
CID 114383835
2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
CID 122081037
N-(2-hydroxy-2-phenylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 111335230
N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
CID 107956309
N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide
CID 103900087
3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one
CID 85271929
N-(3-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65037135
2-oxo-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 24599022
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide (CID 114383719) is N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide is NCC(F)(F)CNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CPRZMDURUGLHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2/c10-9(11,4-12)5-14-8(16)6-2-1-3-13-7(6)15/h1-3H,4-5,12H2,(H,13,15)(H,14,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 231.20 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114383719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).