5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide

C10H12F3N3O2 — CID 82788853

IUPAC5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1OCCCC(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)2-1-3-18-9-7(8(15)17)4-6(14)5-16-9/h4-5H,1-3,14H2,(H2,15,17)
InChIKeyNVWPAJAMVWNPKQ-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.48
Rot. Bonds5

About 5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide

5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide (PubChem CID 82788853) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide
PubChem CID82788853
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1OCCCC(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)2-1-3-18-9-7(8(15)17)4-6(14)5-16-9/h4-5H,1-3,14H2,(H2,15,17)
InChIKeyNVWPAJAMVWNPKQ-UHFFFAOYSA-N
XLogP1.48
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(trifluoromethoxy)pyridine-3-carboxamide
CID 130089257
5-amino-2-[2-(diethylamino)ethoxy]pyridine-3-carboxamide
CID 61358615
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxamide
CID 115505405
5-amino-2-(cyclopentylmethoxy)pyridine-3-carboxamide
CID 66322147
5-methyl-6-(3,3,3-trifluoropropoxy)pyridin-3-amine
CID 82956348
2-amino-3-(4,4,4-trifluorobutoxy)benzamide
CID 82787642
5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carboxamide
CID 61357443
5-(4,4,4-trifluorobutoxy)pyridin-3-amine
CID 104536992
5-amino-2-(thiophen-2-ylmethoxy)pyridine-3-carboxamide
CID 54966607
5-amino-2-[(3-chlorophenyl)methoxy]pyridine-3-carboxamide
CID 65127179
5-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
CID 55011243
5-amino-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 61358803

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide (CID 82788853) is 5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1OCCCC(F)(F)F.
What is the InChIKey of 5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide?
The InChIKey is NVWPAJAMVWNPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)2-1-3-18-9-7(8(15)17)4-6(14)5-16-9/h4-5H,1-3,14H2,(H2,15,17).
What are the key properties of 5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide?
5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide has a molecular weight of 263.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4,4,4-trifluorobutoxy)pyridine-3-carboxamide is sourced from PubChem (CID 82788853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).