4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide

C10H9F3N2O2 — CID 106213894

IUPAC4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1c[nH]ccc1=O
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)9(2-3-9)15-8(17)6-5-14-4-1-7(6)16/h1,4-5H,2-3H2,(H,14,16)(H,15,17)
InChIKeyYOLMJUQLBQRFNT-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.20
Rot. Bonds2

About 4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide

4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide (PubChem CID 106213894) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide
PubChem CID106213894
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1c[nH]ccc1=O
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)9(2-3-9)15-8(17)6-5-14-4-1-7(6)16/h1,4-5H,2-3H2,(H,14,16)(H,15,17)
InChIKeyYOLMJUQLBQRFNT-UHFFFAOYSA-N
XLogP1.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-4-one
CID 164806286
3-(3,3-difluoropyrrolidin-1-ium-1-carbonyl)-1H-pyridin-4-one
CID 164806287
4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103337060
N-butyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103337345
N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 103337351
N-(2,2-difluoroethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337577
N-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 103386582
6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide
CID 106213881
N-(3-amino-2,2-difluoropropyl)-4-oxo-1H-pyridine-3-carboxamide
CID 108100652
N-(1-cyclopropylethyl)-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 108100925
4-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 108100955
N-(2-methylpropyl)-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 108100963

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide (CID 106213894) is 4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide?
The InChIKey is YOLMJUQLBQRFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)9(2-3-9)15-8(17)6-5-14-4-1-7(6)16/h1,4-5H,2-3H2,(H,14,16)(H,15,17).
What are the key properties of 4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide?
4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide has a molecular weight of 246.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106213894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).