N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C14H14F3N3O2 — CID 7633502

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@@](C#N)(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C1CC1
InChIInChI=1S/C14H14F3N3O2/c1-13(8-18,9-2-3-9)19-11(21)7-20-6-10(14(15,16)17)4-5-12(20)22/h4-6,9H,2-3,7H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyBSZKOODTNBDUSJ-ZDUSSCGKSA-N
MW313.28 g/mol
LogP1.68
Rot. Bonds4

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 7633502) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID7633502
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@@](C#N)(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C1CC1
InChIInChI=1S/C14H14F3N3O2/c1-13(8-18,9-2-3-9)19-11(21)7-20-6-10(14(15,16)17)4-5-12(20)22/h4-6,9H,2-3,7H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyBSZKOODTNBDUSJ-ZDUSSCGKSA-N
XLogP1.68
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyano-1-cyclopropylethyl)-2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 42902894
N-[2-(4-bromophenyl)propan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 39613963
N-(1-cyano-1-cyclopropylethyl)-2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetamide
CID 75507373
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
CID 97061567
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47035939
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 51196190
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2R)-pentan-2-yl]acetamide
CID 94177642
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111333062
N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 99779157
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 9205197

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 7633502) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is C[C@@](C#N)(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is BSZKOODTNBDUSJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-13(8-18,9-2-3-9)19-11(21)7-20-6-10(14(15,16)17)4-5-12(20)22/h4-6,9H,2-3,7H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 313.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 7633502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).