2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide

C10H8F3N3O — CID 112527763

IUPAC2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)NCCC(F)(F)F)ccn1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)2-4-16-9(17)7-1-3-15-8(5-7)6-14/h1,3,5H,2,4H2,(H,16,17)
InChIKeyPDZHQBTWCWSLOM-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.64
Rot. Bonds3

About 2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide

2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide (PubChem CID 112527763) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
PubChem CID112527763
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)NCCC(F)(F)F)ccn1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)2-4-16-9(17)7-1-3-15-8(5-7)6-14/h1,3,5H,2,4H2,(H,16,17)
InChIKeyPDZHQBTWCWSLOM-UHFFFAOYSA-N
XLogP1.64
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 115115922
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
CID 115115941
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 175673334
2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115522139
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
2-cyano-N-cyclohexylpyridine-4-carboxamide
CID 90349653
2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide
CID 115115865
N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 140582866
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 63227522

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide (CID 112527763) is 2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide is N#Cc1cc(C(=O)NCCC(F)(F)F)ccn1.
What is the InChIKey of 2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
The InChIKey is PDZHQBTWCWSLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)2-4-16-9(17)7-1-3-15-8(5-7)6-14/h1,3,5H,2,4H2,(H,16,17).
What are the key properties of 2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide has a molecular weight of 243.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide is sourced from PubChem (CID 112527763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).