2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide

C19H23N3O3 — CID 71090057

IUPAC2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide
SMILESCCC(N)C(=O)Nc1ccc(Oc2ccc3c(c2)C(C)(C)OC3)nc1
InChIInChI=1S/C19H23N3O3/c1-4-16(20)18(23)22-13-6-8-17(21-10-13)25-14-7-5-12-11-24-19(2,3)15(12)9-14/h5-10,16H,4,11,20H2,1-3H3,(H,22,23)
InChIKeyWVFINSRIJPMPGW-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.32
Rot. Bonds5

About 2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide

2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide (PubChem CID 71090057) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide
PubChem CID71090057
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide
SMILESCCC(N)C(=O)Nc1ccc(Oc2ccc3c(c2)C(C)(C)OC3)nc1
InChIInChI=1S/C19H23N3O3/c1-4-16(20)18(23)22-13-6-8-17(21-10-13)25-14-7-5-12-11-24-19(2,3)15(12)9-14/h5-10,16H,4,11,20H2,1-3H3,(H,22,23)
InChIKeyWVFINSRIJPMPGW-UHFFFAOYSA-N
XLogP3.32
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide?
The IUPAC name of 2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide (CID 71090057) is 2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide.
What is the SMILES notation for 2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide?
The canonical SMILES for 2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide is CCC(N)C(=O)Nc1ccc(Oc2ccc3c(c2)C(C)(C)OC3)nc1.
What is the InChIKey of 2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide?
The InChIKey is WVFINSRIJPMPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-16(20)18(23)22-13-6-8-17(21-10-13)25-14-7-5-12-11-24-19(2,3)15(12)9-14/h5-10,16H,4,11,20H2,1-3H3,(H,22,23).
What are the key properties of 2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide?
2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide has a molecular weight of 341.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]-3-pyridinyl]butanamide is sourced from PubChem (CID 71090057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).