N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide

C16H23N3O3 — CID 97390058

IUPACN-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide
SMILESCOCCn1c2c(ccc1=O)CCN(C(=O)NC1CC1)CC2
InChIInChI=1S/C16H23N3O3/c1-22-11-10-19-14-7-9-18(16(21)17-13-3-4-13)8-6-12(14)2-5-15(19)20/h2,5,13H,3-4,6-11H2,1H3,(H,17,21)
InChIKeyZIOWFRQVHDKEFJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.77
Rot. Bonds4

About N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide

N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide (PubChem CID 97390058) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide
PubChem CID97390058
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide
SMILESCOCCn1c2c(ccc1=O)CCN(C(=O)NC1CC1)CC2
InChIInChI=1S/C16H23N3O3/c1-22-11-10-19-14-7-9-18(16(21)17-13-3-4-13)8-6-12(14)2-5-15(19)20/h2,5,13H,3-4,6-11H2,1H3,(H,17,21)
InChIKeyZIOWFRQVHDKEFJ-UHFFFAOYSA-N
XLogP0.77
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide (CID 97390058) is N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide is COCCn1c2c(ccc1=O)CCN(C(=O)NC1CC1)CC2.
What is the InChIKey of N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
The InChIKey is ZIOWFRQVHDKEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-11-10-19-14-7-9-18(16(21)17-13-3-4-13)8-6-12(14)2-5-15(19)20/h2,5,13H,3-4,6-11H2,1H3,(H,17,21).
What are the key properties of N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-methoxyethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide is sourced from PubChem (CID 97390058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).