(2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate

C12H15N3O4 — CID 166773055

IUPAC(2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate
SMILESCOc1ccc2c(n1)N(C)C(=O)C(OC(N)=O)CC2
InChIInChI=1S/C12H15N3O4/c1-15-10-7(4-6-9(14-10)18-2)3-5-8(11(15)16)19-12(13)17/h4,6,8H,3,5H2,1-2H3,(H2,13,17)
InChIKeyQXLNRTZATPWGQC-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.46
Rot. Bonds2

About (2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate

(2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate (PubChem CID 166773055) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate.

Molecular Properties

Compound Name(2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate
PubChem CID166773055
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name(2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate
SMILESCOc1ccc2c(n1)N(C)C(=O)C(OC(N)=O)CC2
InChIInChI=1S/C12H15N3O4/c1-15-10-7(4-6-9(14-10)18-2)3-5-8(11(15)16)19-12(13)17/h4,6,8H,3,5H2,1-2H3,(H2,13,17)
InChIKeyQXLNRTZATPWGQC-UHFFFAOYSA-N
XLogP0.46
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate?
The IUPAC name of (2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate (CID 166773055) is (2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate.
What is the SMILES notation for (2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate?
The canonical SMILES for (2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate is COc1ccc2c(n1)N(C)C(=O)C(OC(N)=O)CC2.
What is the InChIKey of (2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate?
The InChIKey is QXLNRTZATPWGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-15-10-7(4-6-9(14-10)18-2)3-5-8(11(15)16)19-12(13)17/h4,6,8H,3,5H2,1-2H3,(H2,13,17).
What are the key properties of (2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate?
(2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate has a molecular weight of 265.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl) carbamate is sourced from PubChem (CID 166773055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).