2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone

C12H12N2O2 — CID 104789293

IUPAC2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone
SMILESCc1occc1C(=O)Cc1cnccc1N
InChIInChI=1S/C12H12N2O2/c1-8-10(3-5-16-8)12(15)6-9-7-14-4-2-11(9)13/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyZCIAUTDSABZYNJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.99
Rot. Bonds3

About 2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone

2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone (PubChem CID 104789293) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone
PubChem CID104789293
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone
SMILESCc1occc1C(=O)Cc1cnccc1N
InChIInChI=1S/C12H12N2O2/c1-8-10(3-5-16-8)12(15)6-9-7-14-4-2-11(9)13/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyZCIAUTDSABZYNJ-UHFFFAOYSA-N
XLogP1.99
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885260
1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone
CID 116577417
1-(2-methylfuran-3-yl)-2-(1,2,5-thiadiazol-3-yl)ethanone
CID 131219610
2-(1H-imidazol-2-yl)-1-(2-methylfuran-3-yl)ethanone
CID 43463678
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391
1-(2-methylfuran-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 104789347
2-iodo-1-(2-methylfuran-3-yl)ethanone
CID 89341465
2-bromo-1-(2-methylfuran-3-yl)ethanone
CID 75360830
2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 116610606
1-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
CID 165037086
2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800650
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone
CID 116585729

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone (CID 104789293) is 2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone is Cc1occc1C(=O)Cc1cnccc1N.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone?
The InChIKey is ZCIAUTDSABZYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-10(3-5-16-8)12(15)6-9-7-14-4-2-11(9)13/h2-5,7H,6H2,1H3,(H2,13,14).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone?
2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone is sourced from PubChem (CID 104789293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).