3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide

C15H18F3N3O2 — CID 127024877

IUPAC3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1oc2nc(C(F)(F)F)ccc2c1N
InChIInChI=1S/C15H18F3N3O2/c1-2-3-4-5-8-20-13(22)12-11(19)9-6-7-10(15(16,17)18)21-14(9)23-12/h6-7H,2-5,8,19H2,1H3,(H,20,22)
InChIKeyVDZMNBJSXLYKDD-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.74
Rot. Bonds6

About 3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide

3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide (PubChem CID 127024877) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
PubChem CID127024877
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1oc2nc(C(F)(F)F)ccc2c1N
InChIInChI=1S/C15H18F3N3O2/c1-2-3-4-5-8-20-13(22)12-11(19)9-6-7-10(15(16,17)18)21-14(9)23-12/h6-7H,2-5,8,19H2,1H3,(H,20,22)
InChIKeyVDZMNBJSXLYKDD-UHFFFAOYSA-N
XLogP3.74
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.74
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

N-[2-(5-methoxy-2-phenylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042142
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CID 127042442
N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042791
10-methyl-4,8-diphenyl-3,4-dihydro-1H-pyrido[3',2':4,5]furo[3,2-e][1,4]diazepine-2,5-dione
CID 2816989
10-methyl-4-(4-methylphenyl)-8-phenyl-3,4-dihydro-1H-pyrido[3',2':4,5]furo[3,2-e][1,4]diazepine-2,5-dione
CID 2817074
7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide
CID 4187861
2-(2-Methyl-allyl)-6,7,8,9-tetrahydro-2H-11-oxa-2,4,10-triaza-benzo[b]fluoren-1-one
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CID 4885948
3-(3-phenylpropyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]furo[2,3-b]quinolin-4(3H)-one
CID 4894287
2-(3-Methyl-butyl)-6,7,8,9-tetrahydro-2H-11-oxa-2,4,10-triaza-benzo[b]fluoren-1-one
CID 4896393
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 661572
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 661617

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide (CID 127024877) is 3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide is CCCCCCNC(=O)c1oc2nc(C(F)(F)F)ccc2c1N.
What is the InChIKey of 3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is VDZMNBJSXLYKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-2-3-4-5-8-20-13(22)12-11(19)9-6-7-10(15(16,17)18)21-14(9)23-12/h6-7H,2-5,8,19H2,1H3,(H,20,22).
What are the key properties of 3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide?
3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 329.32 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexyl-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 127024877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).