2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone

C16H16N2O2 — CID 65407017

IUPAC2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
SMILESNc1ncccc1CC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H16N2O2/c17-16-12(5-3-7-18-16)9-14(19)13-8-11-4-1-2-6-15(11)20-10-13/h1-7,13H,8-10H2,(H2,17,18)
InChIKeySCIJPLOGCPCJMG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone

2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone (PubChem CID 65407017) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
PubChem CID65407017
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
SMILESNc1ncccc1CC(=O)C1COc2ccccc2C1
InChIInChI=1S/C16H16N2O2/c17-16-12(5-3-7-18-16)9-14(19)13-8-11-4-1-2-6-15(11)20-10-13/h1-7,13H,8-10H2,(H2,17,18)
InChIKeySCIJPLOGCPCJMG-UHFFFAOYSA-N
XLogP2.03
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-pyridinyl)-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 65408944
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
2-(2-amino-3-pyridinyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 116549873
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79733157
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone
CID 116550378
(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381650
1-(3,4-dihydro-2H-chromen-3-yl)-2-(3,4-dimethylphenyl)ethanone
CID 65408168
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407021
2-(5-bromo-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 104799040
(2-cyanophenyl)methyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 42920781
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone (CID 65407017) is 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone is Nc1ncccc1CC(=O)C1COc2ccccc2C1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone?
The InChIKey is SCIJPLOGCPCJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-16-12(5-3-7-18-16)9-14(19)13-8-11-4-1-2-6-15(11)20-10-13/h1-7,13H,8-10H2,(H2,17,18).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone?
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone has a molecular weight of 268.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone is sourced from PubChem (CID 65407017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).