N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide

C16H16N4O2 — CID 155920138

IUPACN-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(-c2ccc3occc3c2)cc(N)n1
InChIInChI=1S/C16H16N4O2/c1-18-9-16(21)20-15-8-12(7-14(17)19-15)10-2-3-13-11(6-10)4-5-22-13/h2-8,18H,9H2,1H3,(H3,17,19,20,21)
InChIKeyQTOHGLNFWYFLSB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.23
Rot. Bonds4

About N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide

N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide (PubChem CID 155920138) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
PubChem CID155920138
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(-c2ccc3occc3c2)cc(N)n1
InChIInChI=1S/C16H16N4O2/c1-18-9-16(21)20-15-8-12(7-14(17)19-15)10-2-3-13-11(6-10)4-5-22-13/h2-8,18H,9H2,1H3,(H3,17,19,20,21)
InChIKeyQTOHGLNFWYFLSB-UHFFFAOYSA-N
XLogP2.23
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide?
The IUPAC name of N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide (CID 155920138) is N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide is CNCC(=O)Nc1cc(-c2ccc3occc3c2)cc(N)n1.
What is the InChIKey of N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide?
The InChIKey is QTOHGLNFWYFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-18-9-16(21)20-15-8-12(7-14(17)19-15)10-2-3-13-11(6-10)4-5-22-13/h2-8,18H,9H2,1H3,(H3,17,19,20,21).
What are the key properties of N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide?
N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-4-(1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide is sourced from PubChem (CID 155920138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).