4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide

C18H19N3O2 — CID 58408974

IUPAC4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide
SMILESCC(C)(C)c1coc2ncc(NC(=O)c3ccc(N)cc3)cc12
InChIInChI=1S/C18H19N3O2/c1-18(2,3)15-10-23-17-14(15)8-13(9-20-17)21-16(22)11-4-6-12(19)7-5-11/h4-10H,19H2,1-3H3,(H,21,22)
InChIKeyWQBJBOVGXBYFCF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.96
Rot. Bonds2

About 4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide

4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide (PubChem CID 58408974) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide
PubChem CID58408974
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide
SMILESCC(C)(C)c1coc2ncc(NC(=O)c3ccc(N)cc3)cc12
InChIInChI=1S/C18H19N3O2/c1-18(2,3)15-10-23-17-14(15)8-13(9-20-17)21-16(22)11-4-6-12(19)7-5-11/h4-10H,19H2,1-3H3,(H,21,22)
InChIKeyWQBJBOVGXBYFCF-UHFFFAOYSA-N
XLogP3.96
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 129076574
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-amino-N-[2-(2,2-dimethylpropanoyl)-1-benzofuran-5-yl]benzamide
CID 134285569
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
4-tert-butyl-N-pyrimidin-5-ylbenzamide
CID 76848988
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide (CID 58408974) is 4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide is CC(C)(C)c1coc2ncc(NC(=O)c3ccc(N)cc3)cc12.
What is the InChIKey of 4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is WQBJBOVGXBYFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(2,3)15-10-23-17-14(15)8-13(9-20-17)21-16(22)11-4-6-12(19)7-5-11/h4-10H,19H2,1-3H3,(H,21,22).
What are the key properties of 4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide?
4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 309.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-tert-butylfuro[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 58408974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).