2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen

C16H22N4O2 — CID 143242440

IUPAC2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen
SMILESCNc1cccc(NC(=O)CN2CCOc3ccccc32)n1.[H][H].[H][H]
InChIInChI=1S/C16H18N4O2.2H2/c1-17-14-7-4-8-15(18-14)19-16(21)11-20-9-10-22-13-6-3-2-5-12(13)20;;/h2-8H,9-11H2,1H3,(H2,17,18,19,21);2*1H
InChIKeyGHLOCHXTQXPTMG-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.45
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen

2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen (PubChem CID 143242440) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen
PubChem CID143242440
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen
SMILESCNc1cccc(NC(=O)CN2CCOc3ccccc32)n1.[H][H].[H][H]
InChIInChI=1S/C16H18N4O2.2H2/c1-17-14-7-4-8-15(18-14)19-16(21)11-20-9-10-22-13-6-3-2-5-12(13)20;;/h2-8H,9-11H2,1H3,(H2,17,18,19,21);2*1H
InChIKeyGHLOCHXTQXPTMG-UHFFFAOYSA-N
XLogP2.45
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen?
The IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen (CID 143242440) is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen is CNc1cccc(NC(=O)CN2CCOc3ccccc32)n1.[H][H].[H][H].
What is the InChIKey of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen?
The InChIKey is GHLOCHXTQXPTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.2H2/c1-17-14-7-4-8-15(18-14)19-16(21)11-20-9-10-22-13-6-3-2-5-12(13)20;;/h2-8H,9-11H2,1H3,(H2,17,18,19,21);2*1H.
What are the key properties of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen?
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen has a molecular weight of 302.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[6-(methylamino)-2-pyridinyl]acetamide;molecular hydrogen is sourced from PubChem (CID 143242440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).