N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C14H16F3N3O2 — CID 94801082

IUPACN-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCN(CC(C)C#N)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H16F3N3O2/c1-3-19(8-10(2)7-18)12(21)9-20-6-4-5-11(13(20)22)14(15,16)17/h4-6,10H,3,8-9H2,1-2H3
InChIKeyYGKRYDHIURDMIV-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.88
Rot. Bonds5

About N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 94801082) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID94801082
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC NameN-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCN(CC(C)C#N)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C14H16F3N3O2/c1-3-19(8-10(2)7-18)12(21)9-20-6-4-5-11(13(20)22)14(15,16)17/h4-6,10H,3,8-9H2,1-2H3
InChIKeyYGKRYDHIURDMIV-UHFFFAOYSA-N
XLogP1.88
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 94801082) is N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CCN(CC(C)C#N)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is YGKRYDHIURDMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-3-19(8-10(2)7-18)12(21)9-20-6-4-5-11(13(20)22)14(15,16)17/h4-6,10H,3,8-9H2,1-2H3.
What are the key properties of N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 315.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyanopropyl]-N-ethyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 94801082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).