3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide

C8H9F2N3O — CID 104742724

IUPAC3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NCC(F)F
InChIInChI=1S/C8H9F2N3O/c9-6(10)4-13-8(14)7-5(11)2-1-3-12-7/h1-3,6H,4,11H2,(H,13,14)
InChIKeyMRTMRQFFJAPYAR-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.66
Rot. Bonds3

About 3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide

3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide (PubChem CID 104742724) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
PubChem CID104742724
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NCC(F)F
InChIInChI=1S/C8H9F2N3O/c9-6(10)4-13-8(14)7-5(11)2-1-3-12-7/h1-3,6H,4,11H2,(H,13,14)
InChIKeyMRTMRQFFJAPYAR-UHFFFAOYSA-N
XLogP0.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
CID 130551892
3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039
4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
CID 103157050
3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114145530
(3S)-3-[[(3-aminopyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 104742465
3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 114617075
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide (CID 104742724) is 3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide is Nc1cccnc1C(=O)NCC(F)F.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide?
The InChIKey is MRTMRQFFJAPYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-6(10)4-13-8(14)7-5(11)2-1-3-12-7/h1-3,6H,4,11H2,(H,13,14).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide?
3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide has a molecular weight of 201.18 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104742724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).