4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide

C10H10F3N3O — CID 170798498

IUPAC4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide
SMILESNC(=O)CC=Cc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)7-4-6(9(15)16-5-7)2-1-3-8(14)17/h1-2,4-5H,3H2,(H2,14,17)(H2,15,16)
InChIKeyVHIBANQEPHYJDZ-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.57
Rot. Bonds3

About 4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide

4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide (PubChem CID 170798498) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide.

Molecular Properties

Compound Name4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide
PubChem CID170798498
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide
SMILESNC(=O)CC=Cc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)7-4-6(9(15)16-5-7)2-1-3-8(14)17/h1-2,4-5H,3H2,(H2,14,17)(H2,15,16)
InChIKeyVHIBANQEPHYJDZ-UHFFFAOYSA-N
XLogP1.57
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine
CID 169464082
3-[2-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-ene-1-thiol
CID 169455747
4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide
CID 170799023
4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
CID 170797876
3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]prop-2-ene-1-thiol
CID 169455788
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
ethyl (E)-3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]prop-2-enoate
CID 140543607
4-[3-fluoro-2-(trifluoromethyl)phenyl]but-3-enamide
CID 170798412
3-(4-bromobut-1-enyl)-2-chloro-5-(trifluoromethyl)pyridine
CID 170498064
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575
methyl 6-amino-5-(4-methoxy-4-oxobut-1-enyl)pyridine-3-carboxylate
CID 170501488

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide?
The IUPAC name of 4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide (CID 170798498) is 4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide.
What is the SMILES notation for 4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide?
The canonical SMILES for 4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide is NC(=O)CC=Cc1cc(C(F)(F)F)cnc1N.
What is the InChIKey of 4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide?
The InChIKey is VHIBANQEPHYJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)7-4-6(9(15)16-5-7)2-1-3-8(14)17/h1-2,4-5H,3H2,(H2,14,17)(H2,15,16).
What are the key properties of 4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide?
4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide has a molecular weight of 245.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(trifluoromethyl)-3-pyridinyl]but-3-enamide is sourced from PubChem (CID 170798498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).