N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide

C16H17N3O2 — CID 120704421

IUPACN-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C16H17N3O2/c1-17-10-16(20)19-15-4-2-3-13(18-15)11-5-6-14-12(9-11)7-8-21-14/h2-6,9,17H,7-8,10H2,1H3,(H,18,19,20)
InChIKeyAMXJEBSRYZISMH-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.84
Rot. Bonds4

About N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide

N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide (PubChem CID 120704421) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
PubChem CID120704421
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C16H17N3O2/c1-17-10-16(20)19-15-4-2-3-13(18-15)11-5-6-14-12(9-11)7-8-21-14/h2-6,9,17H,7-8,10H2,1H3,(H,18,19,20)
InChIKeyAMXJEBSRYZISMH-UHFFFAOYSA-N
XLogP1.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119881833
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120646550
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide
CID 167960960
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide
CID 167958842
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120800256
(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120941445
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119881915
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide
CID 119881938
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride
CID 120596723
3-[[N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111562970
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide?
The IUPAC name of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide (CID 120704421) is N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide is CNCC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide?
The InChIKey is AMXJEBSRYZISMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-17-10-16(20)19-15-4-2-3-13(18-15)11-5-6-14-12(9-11)7-8-21-14/h2-6,9,17H,7-8,10H2,1H3,(H,18,19,20).
What are the key properties of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide?
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide has a molecular weight of 283.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide is sourced from PubChem (CID 120704421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).