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

C17H23N3O2 — CID 97466850

IUPACN-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide
SMILESO=C(NC1CC1)N1CCc2ccc(=O)n(CC3CC3)c2CC1
InChIInChI=1S/C17H23N3O2/c21-16-6-3-13-7-9-19(17(22)18-14-4-5-14)10-8-15(13)20(16)11-12-1-2-12/h3,6,12,14H,1-2,4-5,7-11H2,(H,18,22)
InChIKeyGIEMXUWLWSLEQD-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.53
Rot. Bonds3

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

N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide (PubChem CID 97466850) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide
PubChem CID97466850
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide
SMILESO=C(NC1CC1)N1CCc2ccc(=O)n(CC3CC3)c2CC1
InChIInChI=1S/C17H23N3O2/c21-16-6-3-13-7-9-19(17(22)18-14-4-5-14)10-8-15(13)20(16)11-12-1-2-12/h3,6,12,14H,1-2,4-5,7-11H2,(H,18,22)
InChIKeyGIEMXUWLWSLEQD-UHFFFAOYSA-N
XLogP1.53
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
The IUPAC name of N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide (CID 97466850) is N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide is O=C(NC1CC1)N1CCc2ccc(=O)n(CC3CC3)c2CC1.
What is the InChIKey of N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
The InChIKey is GIEMXUWLWSLEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16-6-3-13-7-9-19(17(22)18-14-4-5-14)10-8-15(13)20(16)11-12-1-2-12/h3,6,12,14H,1-2,4-5,7-11H2,(H,18,22).
What are the key properties of N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide?
N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(cyclopropylmethyl)-2-oxo-5,6,8,9-tetrahydropyrido[2,3-d]azepine-7-carboxamide is sourced from PubChem (CID 97466850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).