2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone

C15H15N3O2 — CID 116610606

IUPAC2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
SMILESNc1ccncc1CC(=O)c1cccc2c1OCCN2
InChIInChI=1S/C15H15N3O2/c16-12-4-5-17-9-10(12)8-14(19)11-2-1-3-13-15(11)20-7-6-18-13/h1-5,9,18H,6-8H2,(H2,16,17)
InChIKeyRRTBFEDNMUPLEQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.89
Rot. Bonds3

About 2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone

2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone (PubChem CID 116610606) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
PubChem CID116610606
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
SMILESNc1ccncc1CC(=O)c1cccc2c1OCCN2
InChIInChI=1S/C15H15N3O2/c16-12-4-5-17-9-10(12)8-14(19)11-2-1-3-13-15(11)20-7-6-18-13/h1-5,9,18H,6-8H2,(H2,16,17)
InChIKeyRRTBFEDNMUPLEQ-UHFFFAOYSA-N
XLogP1.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-2-(4-iodophenyl)ethanone
CID 116610685
2-(5-chloro-2-fluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 103052467
2-(2,5-difluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 116610587
1-[2-(2-aminoethyl)phenyl]-2-(4-amino-3-pyridinyl)ethanone
CID 116577417
2-(4-chloro-3-fluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone
CID 107890399
2-(4-amino-3-pyridinyl)-1-(2-methylfuran-3-yl)ethanone
CID 104789293
1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533374
8-ethyl-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine
CID 145305840
2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885260
3,4-dihydro-2H-1,4-benzoxazin-8-yl(2,3-dihydrofuran-5-yl)methanone
CID 102652618
N-(2-amino-2-oxoethyl)-N-ethyl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 103101996
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106276424

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone (CID 116610606) is 2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone is Nc1ccncc1CC(=O)c1cccc2c1OCCN2.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone?
The InChIKey is RRTBFEDNMUPLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-12-4-5-17-9-10(12)8-14(19)11-2-1-3-13-15(11)20-7-6-18-13/h1-5,9,18H,6-8H2,(H2,16,17).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone?
2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone has a molecular weight of 269.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethanone is sourced from PubChem (CID 116610606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).