N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide

C10H8F3N3O — CID 87929157

IUPACN-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide
SMILESN#CCN(C(=O)CC(F)(F)F)c1ccccn1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-9(17)16(6-4-14)8-3-1-2-5-15-8/h1-3,5H,6-7H2
InChIKeyPCKWQTNSZVJBHC-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.89
Rot. Bonds3

About N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide

N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide (PubChem CID 87929157) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide
PubChem CID87929157
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC NameN-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide
SMILESN#CCN(C(=O)CC(F)(F)F)c1ccccn1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-9(17)16(6-4-14)8-3-1-2-5-15-8/h1-3,5H,6-7H2
InChIKeyPCKWQTNSZVJBHC-UHFFFAOYSA-N
XLogP1.89
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide?
The IUPAC name of N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide (CID 87929157) is N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide is N#CCN(C(=O)CC(F)(F)F)c1ccccn1.
What is the InChIKey of N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide?
The InChIKey is PCKWQTNSZVJBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-9(17)16(6-4-14)8-3-1-2-5-15-8/h1-3,5H,6-7H2.
What are the key properties of N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide?
N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide has a molecular weight of 243.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3,3,3-trifluoro-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 87929157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).