N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide

C12H12F3N3O2 — CID 103209995

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC#Cc1ccnc(NC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-20-7-11(19)18-10-6-9(2-1-4-16)3-5-17-10/h3,5-6H,4,7-8,16H2,(H,17,18,19)
InChIKeyCOVLSEOWMZQVGS-UHFFFAOYSA-N
MW287.24 g/mol
LogP0.91
Rot. Bonds4

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209995) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209995
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC#Cc1ccnc(NC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-20-7-11(19)18-10-6-9(2-1-4-16)3-5-17-10/h3,5-6H,4,7-8,16H2,(H,17,18,19)
InChIKeyCOVLSEOWMZQVGS-UHFFFAOYSA-N
XLogP0.91
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209955
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]octanamide
CID 102821254
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-cyclohexylpropanamide
CID 102821250
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
CID 107690785
4,4,4-trifluoro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821162
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-pyrazol-1-ylpropanamide
CID 102821357
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
CID 102821471
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102821340
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,4-dimethylbenzamide
CID 102821474
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102821396

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209995) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide is NCC#Cc1ccnc(NC(=O)COCC(F)(F)F)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is COVLSEOWMZQVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)8-20-7-11(19)18-10-6-9(2-1-4-16)3-5-17-10/h3,5-6H,4,7-8,16H2,(H,17,18,19).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 287.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).